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pyrrolnitrin

CHEBI:32079 EXACT SEEDED antifungal

What these status tags mean

Curation status describes a workflow state. SEEDED means the record entered through the source-seeding workflow; it does not imply that no later curation occurred. PROPOSED marks an addition awaiting review; REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record. These are workflow decisions, not independently verified human review. Agent-assisted contributions may appear in the record history.

Grounding describes the identifier mapping: EXACT uses an ontology identity asserted by the source; MINTED keeps a local identifier when no defensible ontology identity is available; REVIEW_NEEDED flags an exact structure whose ontology identity needs adjudication. The grounding note retains any unresolved alternatives. These tags do not establish the strength of producer or activity evidence.

A member of the class of pyrroles carrying chloro and 3-chloro-2-nitrophenyl substituents at positions 3 and 4 respectively.

Structure

Standard InChIKeyQJBZDBLBQWFTPZ-UHFFFAOYSA-N
SMILESClC1=CNC=C1C1=CC=CC(Cl)=C1N(=O)=O
Stereochemistryfully defined
Cross-referencesnpatlas:NPA018752, pubchem:13916

Filing pathway

Alkaloids — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is other, from MIBiG.

Producer organisms 1

A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.

TaxonBasisClusterEvidence
Pseudomonas chlororaphis
NCBITaxon:587753		 SOURCE_ASSERTION mibig:BGC0000924 PMID:19889032

Occurrences 18

Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.

TaxonSourceReference
Streptomyces phaeochromogenes
NCBITaxon:1923		 LOTUS DOI:10.1016/0014-5793(84)81005-4
Pseudomonas
NCBITaxon:286		 LOTUS DOI:10.1080/00021369.1964.10858275
Pseudomonas aeruginosa
NCBITaxon:287		 LOTUS DOI:10.5507/BP.2012.090
Burkholderia cepacia
NCBITaxon:292		 LOTUS DOI:10.1016/S1049-9644(02)00044-0
Burkholderia cepacia
NCBITaxon:292		 LOTUS DOI:10.1021/JF00092A044
Burkholderia cepacia
NCBITaxon:292		 LOTUS DOI:10.1128/AEM.60.6.2031-2039.1994
Acinetobacter haemolyticus
NCBITaxon:29430		 LOTUS DOI:10.1007/S11274-013-1426-X
Acinetobacter haemolyticus
NCBITaxon:29430		 CHEBI PMID:23990066
Pseudomonas stutzeri
NCBITaxon:316		 LOTUS DOI:10.5507/BP.2012.090
Pseudomonas stutzeri
NCBITaxon:316		 CHEBI PMID:23149469
Pantoea agglomerans
NCBITaxon:549		 LOTUS DOI:10.1007/S002849900037
Burkholderia pyrrocinia
NCBITaxon:60550		 LOTUS DOI:10.1002/ANIE.199403521
Burkholderia pyrrocinia
NCBITaxon:60550		 CHEBI PMID:4955234
Pseudomonas chlororaphis
NCBITaxon:587753		 LOTUS DOI:10.1094/MPMI-10-14-0326-FI
Pseudomonas chlororaphis
NCBITaxon:587753		 LOTUS DOI:10.1111/J.1574-6941.2009.00792.X
Pseudomonas chlororaphis
NCBITaxon:587753		 LOTUS DOI:10.1371/JOURNAL.PONE.0123184
Pseudomonas chlororaphis
NCBITaxon:587753		 CHEBI PMID:25679537
Pseudomonas chlororaphis
NCBITaxon:587753		 CHEBI PMID:25901993

Biosynthetic gene clusters 1

AccessionHostLocus evidenceGenome
mibig:BGC0000924 Pseudomonas chlororaphis
NCBITaxon:587753 		CLUSTER_UNSTATED genbank:EU188755.1

A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.

Biosynthesis curated

Written by a curator with claim-level evidence on each step; not derived from a source. This is what the rest of the record exists to support.

StepEnzymeReactionSubstrate → productEvidence
1 PrnA
UniProtKB:A8W2Z0		 CHEBI:16828 → CHEBI:47356 https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
2 PrnB
UniProtKB:A8W2Z1		 CHEBI:47356 → CHEBI:85785 https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
3 PrnC
UniProtKB:A8W2Z2		 CHEBI:85785 → CHEBI:85786 https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
4 PrnD
UniProtKB:A8W2Z3		 CHEBI:85786 → CHEBI:32079 https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1

Step 1: GenBank EU188755.1 annotates Pseudomonas chlororaphis PA23 PrnA as the tryptophan chlorinating enzyme; marked proposed because the exact PA23 CDS assignment is a sequence annotation rather than a direct PA23 enzyme assay.

Step 2: GenBank EU188755.1 annotates Pseudomonas chlororaphis PA23 PrnB as the enzyme converting 7-chlorotryptophan to monodechloroaminopyrrolnitrin; marked proposed because the exact PA23 CDS assignment is a sequence annotation rather than a direct PA23 enzyme assay.

Step 3: GenBank EU188755.1 annotates Pseudomonas chlororaphis PA23 PrnC as the aminopyrrolnitrin-forming halogenase; marked proposed because the exact PA23 CDS assignment is a sequence annotation rather than a direct PA23 enzyme assay.

Step 4: GenBank EU188755.1 annotates Pseudomonas chlororaphis PA23 PrnD as the arylamine oxidase that completes pyrrolnitrin biosynthesis; marked proposed because the exact PA23 CDS assignment is a sequence annotation rather than a direct PA23 enzyme assay.

Mechanism & Biosynthesis Overview

PRODUCERS & OCCURRENCE 1 producer (0 causal) 18 cited occurrences BIOSYNTHETIC LOCUS 1 gene cluster 4 curated pathway steps NATURAL PRODUCT pyrrolnitrin CHEBI:32079 Alkaloids TARGETS & BIOACTIVITY 0 molecular targets 25 bioactivities · 5 graphs

Causal graph — biosynthesis 13 nodes, 12 edges

Proposed Pseudomonas chlororaphis PA23 PrnA-PrnD biosynthetic route from L-tryptophan to pyrrolnitrin.

SubjectPredicateObjectNotesEvidence
L-tryptophan is converted by tryptophan 7-chlorination
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes the chlorination of tryptophan to form 7-chlorotryptophan
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnA/ABW69174.1 to 7-chlorotryptophan formation.
PrnA catalyzes tryptophan 7-chlorination
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
https://www.uniprot.org/uniprotkb/A8W2Z0
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes the chlorination of tryptophan to form 7-chlorotryptophan
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnA/ABW69174.1 to 7-chlorotryptophan formation.
  • reference
    https://www.uniprot.org/uniprotkb/A8W2Z0
    evidence type
    DATABASE_ASSERTION
    snippet
    DR EMBL; EU188755; ABW69174.1; -; Genomic_DNA.
    retrieved on
    2026-09-28
    notes
    UniProtKB:A8W2Z0 resolves the unreviewed Pseudomonas chlororaphis PrnA protein and cross-references EMBL EU188755 protein ABW69174.1.
tryptophan 7-chlorination forms 7-chloro-L-tryptophan
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes the chlorination of tryptophan to form 7-chlorotryptophan
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnA/ABW69174.1 to 7-chlorotryptophan formation.
7-chloro-L-tryptophan is converted by monodechloroaminopyrrolnitrin formation
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes the conversion of 7-chlorotryptophan to monodechloroaminopyrrolnitrin
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnB/ABW69175.1 to monodechloroaminopyrrolnitrin formation.
PrnB catalyzes monodechloroaminopyrrolnitrin formation
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
https://www.uniprot.org/uniprotkb/A8W2Z1
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes the conversion of 7-chlorotryptophan to monodechloroaminopyrrolnitrin
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnB/ABW69175.1 to monodechloroaminopyrrolnitrin formation.
  • reference
    https://www.uniprot.org/uniprotkb/A8W2Z1
    evidence type
    DATABASE_ASSERTION
    snippet
    DR EMBL; EU188755; ABW69175.1; -; Genomic_DNA.
    retrieved on
    2026-09-28
    notes
    UniProtKB:A8W2Z1 resolves the unreviewed Pseudomonas chlororaphis PrnB protein and cross-references EMBL EU188755 protein ABW69175.1.
monodechloroaminopyrrolnitrin formation forms monodechloroaminopyrrolnitrin
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes the conversion of 7-chlorotryptophan to monodechloroaminopyrrolnitrin
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnB/ABW69175.1 to monodechloroaminopyrrolnitrin formation.
monodechloroaminopyrrolnitrin is converted by aminopyrrolnitrin-forming chlorination
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes chlorination of monodechloroaminopyrrolnitrin to form aminopyrrolnitrin
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnC/ABW69176.1 to aminopyrrolnitrin formation.
PrnC catalyzes aminopyrrolnitrin-forming chlorination
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
https://www.uniprot.org/uniprotkb/A8W2Z2
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes chlorination of monodechloroaminopyrrolnitrin to form aminopyrrolnitrin
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnC/ABW69176.1 to aminopyrrolnitrin formation.
  • reference
    https://www.uniprot.org/uniprotkb/A8W2Z2
    evidence type
    DATABASE_ASSERTION
    snippet
    DR EMBL; EU188755; ABW69176.1; -; Genomic_DNA.
    retrieved on
    2026-09-28
    notes
    UniProtKB:A8W2Z2 resolves the unreviewed Pseudomonas chlororaphis PrnC protein and cross-references EMBL EU188755 protein ABW69176.1.
aminopyrrolnitrin-forming chlorination forms aminopyrrolnitrin
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes chlorination of monodechloroaminopyrrolnitrin to form aminopyrrolnitrin
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnC/ABW69176.1 to aminopyrrolnitrin formation.
aminopyrrolnitrin is converted by pyrrolnitrin-forming oxidation
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes the oxidation of aminopyrrolnitrin to form pyrrolnitrin
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnD/ABW69177.1 to pyrrolnitrin formation.
PrnD catalyzes pyrrolnitrin-forming oxidation
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
https://www.uniprot.org/uniprotkb/A8W2Z3
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes the oxidation of aminopyrrolnitrin to form pyrrolnitrin
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnD/ABW69177.1 to pyrrolnitrin formation.
  • reference
    https://www.uniprot.org/uniprotkb/A8W2Z3
    evidence type
    DATABASE_ASSERTION
    snippet
    DR EMBL; EU188755; ABW69177.1; -; Genomic_DNA.
    retrieved on
    2026-09-28
    notes
    UniProtKB:A8W2Z3 resolves the unreviewed Pseudomonas chlororaphis PrnD protein and cross-references EMBL EU188755 protein ABW69177.1.
pyrrolnitrin-forming oxidation forms pyrrolnitrin
https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU188755.1
    evidence type
    DATABASE_ASSERTION
    snippet
    catalyzes the oxidation of aminopyrrolnitrin to form pyrrolnitrin
    retrieved on
    2026-09-28
    notes
    GenBank EU188755.1 assigns prnD/ABW69177.1 to pyrrolnitrin formation.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Causal graph — biosynthesis 11 nodes, 12 edges

Biochemical subexperiments for candidate pyrrolnitrin reductase PrnF. Native reference, processed proteins and surrogate reaction remain distinct. No new pyrrolnitrin synthesis step, antimicrobial mechanism or full-record sign-off.

SubjectPredicateObjectNotesEvidence
Pseudomonas protegens Pf-5 encodes_native_reference PrnF native sequence reference CP000076.1 CDS4164049..4164609(+), 1-based inclusive; PFL_3609, AAY92875.1,186aa. CDS-aware table11=GenPept=UniProt unreviewed sequencev1; Pf-5/taxon220664. Deposit uses locus tag, not a prnF gene qualifier.
https://www.ncbi.nlm.nih.gov/nuccore/CP000076.1
https://www.ncbi.nlm.nih.gov/protein/AAY92875.1
https://www.uniprot.org/uniprotkb/Q4KAM2
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/CP000076.1
    evidence type
    DATABASE_ASSERTION
    notes
    Source/CDS qualifiers inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AAY92875.1
    evidence type
    DATABASE_ASSERTION
    notes
    Versioned native sequence inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.uniprot.org/uniprotkb/Q4KAM2
    evidence type
    CURATOR_INFERENCE
    notes
    Exact native sequence and identity comparison.
    retrieved on
    2026-10-06
Study PrnF preparation has_native_sequence_reference PrnF native sequence reference Published primer cores match native CDS ends. Figure2/native186aa conflict with prose160aa; BAA-447 versus databaseBAA-477 unresolved. pQE30Xa/BL21(DE3),factor-Xa processed; full stock unverified.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    CURATOR_INFERENCE
    notes
    Methods/Figure2 inspected; supplement unread.
    retrieved on
    2026-10-06
Study PrnF preparation catalyzed_in_assay PrnF-catalyzed flavin reduction assay NADH absorbance340nm,30C,pH7.0. Table1:FAD Km3.2+/-0.6uM,kcat65.0+/-8.2s^-1; not in-vivo flux.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Methods/Table1 inspected; supplement unread.
    retrieved on
    2026-10-06
FAD assay substrate was_substrate_for PrnF-catalyzed flavin reduction assay Not a permanently bound prosthetic group; protonation unspecified.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Results inspected; supplement unread.
    retrieved on
    2026-10-06
    snippet
    FAD is a true substrate
NADH assay electron donor was_electron_donor_for PrnF-catalyzed flavin reduction assay No universal exclusion of alternative donors inferred.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Methods/Table1 inspected; supplement unread.
    retrieved on
    2026-10-06
PrnF-catalyzed flavin reduction assay yielded Reduced FAD assay product Anaerobic reduction and absorbance450nm recovery after oxygen readmission.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Results inspected; supplement unread.
    retrieved on
    2026-10-06
Reduced FAD assay product was_inferred_to_support PrnD/PrnF surrogate oxidation assay Coupling interpretation, not direct visualization of flavin transfer.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    CURATOR_INFERENCE
    notes
    Results inspected; supplement unread.
    retrieved on
    2026-10-06
Study PrnF preparation supported_in_assay PrnD/PrnF surrogate oxidation assay Added PrnF enhanced the coupled reaction.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Results inspected; supplement unread.
    retrieved on
    2026-10-06
Study PrnD preparation (sequence unresolved) catalyzed_in_assay PrnD/PrnF surrogate oxidation assay Prior-method primers disagree with Pf-5 Q4KAM4 termini; no exact native mapping adopted.
DOI:10.1128/JB.01050-07
DOI:10.1074/jbc.M505334200
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Methods/Results inspected; supplement unread.
    retrieved on
    2026-10-06
  • reference
    DOI:10.1074/jbc.M505334200
    evidence type
    CURATOR_INFERENCE
    notes
    Published primers compared with CP000076.1; full preparation remains unresolved.
    retrieved on
    2026-10-06
p-Aminobenzylamine surrogate substrate was_substrate_for PrnD/PrnF surrogate oxidation assay Not aminopyrrolnitrin.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Results inspected; supplement unread.
    retrieved on
    2026-10-06
PrnD/PrnF surrogate oxidation assay yielded p-Nitrobenzylamine assay product HPLC standard coelution and high-resolution MS; not pyrrolnitrin.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Results inspected; supplement unread.
    retrieved on
    2026-10-06
Study PrnF preparation interacted_in_study_with Study PrnD preparation (sequence unresolved) Fluorescence of FAD-bound PrnF,membrane separation,gel filtration. No universal monomer stoichiometry or exclusive endogenous partner asserted.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Figure4/Results inspected; supplement unread.
    retrieved on
    2026-10-06

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Causal graph — biosynthesis 18 nodes, 20 edges

BL915 gene-expression assignments, distinct from the existing PA23 database-assertion graph. Versioned nucleotide accession is cited as sequence evidence, not assigned as a BGC identifier. Primary abstract and captions only; full text, figure images, tables and supplement unread. No historical Pf-5 stock identification, purified-enzyme kinetics, antimicrobial mechanism or full-record sign-off.

SubjectPredicateObjectNotesEvidence
Native BL915 pyrrolnitrin locus (sequence U74493.1) encodes_native_reference PrnA native BL915 reference U74493.1 CDS423..2039(+),1-based inclusive;AAB97504.1,538aa. CDS-aware table11=GenPept=UniProt,reviewed entry88,sequencev1. Native source Bl915,taxon294;not Pf-5 or PA23.
https://www.ncbi.nlm.nih.gov/nuccore/U74493.1
https://www.ncbi.nlm.nih.gov/protein/AAB97504.1
https://www.uniprot.org/uniprotkb/P95480
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/U74493.1
    evidence type
    DATABASE_ASSERTION
    notes
    Native source/CDS inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AAB97504.1
    evidence type
    DATABASE_ASSERTION
    notes
    Versioned protein inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.uniprot.org/uniprotkb/P95480
    evidence type
    CURATOR_INFERENCE
    notes
    Exact sequence and accession comparison.
    retrieved on
    2026-10-06
PrnA study gene-expression product has_native_sequence_reference PrnA native BL915 reference Reference correspondence, not complete expression-construct equality.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    CURATOR_INFERENCE
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
    snippet
    identical in size and serology
PrnA study gene-expression product was_genetically_assigned_to Reported tryptophan chlorination Gene-expression assignment; not isolated purified-enzyme turnover.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
L-tryptophan was_converted_in_reported_assignment Reported tryptophan chlorination No reaction rate or exact culture formulation asserted.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
Reported tryptophan chlorination yielded_reported_product 7-chloro-L-tryptophan No detailed catalytic intermediate asserted.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
Native BL915 pyrrolnitrin locus (sequence U74493.1) encodes_native_reference PrnB native BL915 reference U74493.1 CDS2039..3124(+),1-based inclusive;AAB97505.1,361aa. CDS-aware table11=GenPept=UniProt,reviewed entry73,sequencev1. Native source Bl915,taxon294;not Pf-5 or PA23. GenBank/GenPept gene qualifier saysprnA;productPrnB and exact sequence/EMBL mapping identify this CDS.
https://www.ncbi.nlm.nih.gov/nuccore/U74493.1
https://www.ncbi.nlm.nih.gov/protein/AAB97505.1
https://www.uniprot.org/uniprotkb/P95481
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/U74493.1
    evidence type
    DATABASE_ASSERTION
    notes
    Native source/CDS inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AAB97505.1
    evidence type
    DATABASE_ASSERTION
    notes
    Versioned protein inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.uniprot.org/uniprotkb/P95481
    evidence type
    CURATOR_INFERENCE
    notes
    Exact sequence and accession comparison.
    retrieved on
    2026-10-06
PrnB study gene-expression product has_native_sequence_reference PrnB native BL915 reference Reference correspondence, not complete expression-construct equality.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    CURATOR_INFERENCE
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
PrnB study gene-expression product was_genetically_assigned_to Reported ring rearrangement and decarboxylation Gene-expression assignment; not isolated purified-enzyme turnover.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
7-chloro-L-tryptophan was_converted_in_reported_assignment Reported ring rearrangement and decarboxylation No reaction rate or exact culture formulation asserted.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
Reported ring rearrangement and decarboxylation yielded_reported_product Monodechloroaminopyrrolnitrin No detailed catalytic intermediate asserted.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
Native BL915 pyrrolnitrin locus (sequence U74493.1) encodes_native_reference PrnC native BL915 reference U74493.1 CDS3167..4870(+),1-based inclusive;AAB97506.1,567aa. CDS-aware table11=GenPept=UniProt,reviewed entry65,sequencev1. Native source Bl915,taxon294;not Pf-5 or PA23.
https://www.ncbi.nlm.nih.gov/nuccore/U74493.1
https://www.ncbi.nlm.nih.gov/protein/AAB97506.1
https://www.uniprot.org/uniprotkb/P95482
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/U74493.1
    evidence type
    DATABASE_ASSERTION
    notes
    Native source/CDS inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AAB97506.1
    evidence type
    DATABASE_ASSERTION
    notes
    Versioned protein inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.uniprot.org/uniprotkb/P95482
    evidence type
    CURATOR_INFERENCE
    notes
    Exact sequence and accession comparison.
    retrieved on
    2026-10-06
PrnC study gene-expression product has_native_sequence_reference PrnC native BL915 reference Reference correspondence, not complete expression-construct equality.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    CURATOR_INFERENCE
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
PrnC study gene-expression product was_genetically_assigned_to Reported monodechloroaminopyrrolnitrin chlorination Gene-expression assignment; not isolated purified-enzyme turnover.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
Monodechloroaminopyrrolnitrin was_converted_in_reported_assignment Reported monodechloroaminopyrrolnitrin chlorination No reaction rate or exact culture formulation asserted.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
Reported monodechloroaminopyrrolnitrin chlorination yielded_reported_product Aminopyrrolnitrin No detailed catalytic intermediate asserted.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
Native BL915 pyrrolnitrin locus (sequence U74493.1) encodes_native_reference PrnD native BL915 reference U74493.1 CDS4895..5986(+),1-based inclusive;AAB97507.1,363aa. CDS-aware table11=GenPept=UniProt,reviewed entry92,sequencev1. Native source Bl915,taxon294;not Pf-5 or PA23.
https://www.ncbi.nlm.nih.gov/nuccore/U74493.1
https://www.ncbi.nlm.nih.gov/protein/AAB97507.1
https://www.uniprot.org/uniprotkb/P95483
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/U74493.1
    evidence type
    DATABASE_ASSERTION
    notes
    Native source/CDS inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AAB97507.1
    evidence type
    DATABASE_ASSERTION
    notes
    Versioned protein inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.uniprot.org/uniprotkb/P95483
    evidence type
    CURATOR_INFERENCE
    notes
    Exact sequence and accession comparison.
    retrieved on
    2026-10-06
PrnD study gene-expression product has_native_sequence_reference PrnD native BL915 reference Reference correspondence, not complete expression-construct equality.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    CURATOR_INFERENCE
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
PrnD study gene-expression product was_genetically_assigned_to Reported aminopyrrolnitrin oxidation Gene-expression assignment; not isolated purified-enzyme turnover.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
Aminopyrrolnitrin was_converted_in_reported_assignment Reported aminopyrrolnitrin oxidation No reaction rate or exact culture formulation asserted.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06
Reported aminopyrrolnitrin oxidation yielded_reported_product Pyrrolnitrin No detailed catalytic intermediate asserted.
DOI:10.1128/JB.180.7.1939-1943.1998
  • reference
    DOI:10.1128/JB.180.7.1939-1943.1998
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Abstract and figure captions inspected.
    retrieved on
    2026-10-06

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Causal graph — biosynthesis 7 nodes, 6 edges

Candidate ORF2 coupling experiment for the pyrrolnitrin-associated PrnD system, using a surrogate substrate. Current native reference and unresolved study preparations remain distinct. No direct ORF2-PrnD binding, complete physiological pathway, endogenous necessity, quantitative flux, antimicrobial mechanism or full-record sign-off asserted.

SubjectPredicateObjectNotesEvidence
Pseudomonas protegens Pf-5 encodes_native_reference ORF2 candidate native sequence reference PFL_3602/AAY92868.1, 360 aa; CP000076.1 CDS 4153602..4154684(+), 1-based inclusive. CDS-aware table 11 translation equals GenPept and UniProt Q4KAM9, unreviewed sequence version 1. Not a historical stock sequence.
https://www.ncbi.nlm.nih.gov/nuccore/CP000076.1
https://www.ncbi.nlm.nih.gov/protein/AAY92868.1
https://www.uniprot.org/uniprotkb/Q4KAM9
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/CP000076.1
    evidence type
    DATABASE_ASSERTION
    notes
    Native source and CDS inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AAY92868.1
    evidence type
    DATABASE_ASSERTION
    notes
    Versioned protein and source qualifiers inspected.
    retrieved on
    2026-10-06
  • reference
    https://www.uniprot.org/uniprotkb/Q4KAM9
    evidence type
    CURATOR_INFERENCE
    notes
    Exact native sequence, locus, strain and taxon comparison.
    retrieved on
    2026-10-06
Study ORF2 preparation (sequence unresolved) has_candidate_native_locus_reference ORF2 candidate native sequence reference Figure 2 position and 360-aa length suggest PFL_3602, but cloning primers, tags and exact translated stock are not established. BAB51856 is a similarity reference, not the tested sequence. Candidate mapping only.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    CURATOR_INFERENCE
    notes
    Main text and Figure 2 inspected; supplement unread. Historical constructs unverified.
    retrieved on
    2026-10-06
Study ORF2 preparation (sequence unresolved) supported_reported_coupled_assay Reported ORF2/PrnD surrogate oxidation assay The purified ORF2 preparation supported lower surrogate conversion than PrnF. Exact assay conditions are insufficiently resolved for a quantitative rate claim. No endogenous partner exclusivity or necessity inferred.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Main text and Figure 2 inspected; supplement unread. Historical constructs unverified.
    retrieved on
    2026-10-06
Study PrnD preparation (sequence unresolved) catalyzed_reported_surrogate_oxidation Reported ORF2/PrnD surrogate oxidation assay Unresolved preparation from the cited prior method. Published primers disagree with Pf-5 Q4KAM4 termini; no exact native identifier adopted.
DOI:10.1128/JB.01050-07
DOI:10.1074/jbc.M505334200
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Main text and Figure 2 inspected; supplement unread. Historical constructs unverified.
    retrieved on
    2026-10-06
  • reference
    DOI:10.1074/jbc.M505334200
    evidence type
    CURATOR_INFERENCE
    notes
    Prior-method primers inspected; mismatch with CP000076.1 retained.
    retrieved on
    2026-10-06
p-Aminobenzylamine surrogate substrate was_reported_substrate_of Reported ORF2/PrnD surrogate oxidation assay Surrogate arylamine, not aminopyrrolnitrin.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Main text and Figure 2 inspected; supplement unread. Historical constructs unverified.
    retrieved on
    2026-10-06
Reported ORF2/PrnD surrogate oxidation assay had_reported_readout Reported pABA N-oxygenation readout Qualitative N-oxygenation readout only. No independently inspected ORF2-specific product chromatogram, exact product identity or pyrrolnitrin production result adopted.
DOI:10.1128/JB.01050-07
  • reference
    DOI:10.1128/JB.01050-07
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Main text and Figure 2 inspected; supplement unread. Historical constructs unverified.
    retrieved on
    2026-10-06

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Causal graph — biosynthesis 9 nodes, 8 edges

In-vitro aminopyrrolnitrin oxidation by reconstituted PrnD with heterologous SsuE. Both historical protein preparations remain sequence-unresolved. Not a native-partner assignment, binding/assembly claim, antimicrobial mechanism or full-record sign-off.

SubjectPredicateObjectNotesEvidence
Study SsuE preparation (sequence unresolved) supported_in_assay In-vitro SsuE-assisted PrnD oxidation XL1 Blue genomic source; pQE-80L N-terminal His6 fusion expressed in BL21(DE3). Heterologous substitute for an unknown Pseudomonas reductase, not an endogenous partner. Study reports a 672-bp PCR product; complete historical construct remains unresolved.
DOI:10.1074/jbc.M505334200
https://www.ncbi.nlm.nih.gov/nuccore/CP132550.1
https://www.uniprot.org/uniprotkb/P80644
  • reference
    DOI:10.1074/jbc.M505334200
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Main Methods/Results inspected; supplement unread.
    retrieved on
    2026-10-06
    snippet
    E. coli XL1 Blue genomic DNA
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/CP132550.1
    evidence type
    CURATOR_INFERENCE
    notes
    Modern XL1-Blue collection2021-02-15; CP132550.1 has only a source feature. Published primer cores bound a curator-derived576nt ORF at987195..987770(complement),191aa. Not a deposited CDS/protein accession or historical-stock verification.
    retrieved on
    2026-10-06
  • reference
    https://www.uniprot.org/uniprotkb/P80644
    evidence type
    CURATOR_INFERENCE
    notes
    Modern inferred peptide equals reviewed K12 P80644 sequencev2,entry162. Taxon83333/K12 is not a verified identity for the assayed XL1-Blue preparation; this accession is a comparator only and is not assigned to the node.
    retrieved on
    2026-10-06
Reconstituted study PrnD (sequence unresolved) catalyzed_in_assay In-vitro SsuE-assisted PrnD oxidation MBP fusion/factor-Xa processed PrnD required in-vitro iron-sulfur reconstitution. Published primers disagree with Pf-5 Q4KAM4 and match BL915 reference ends, which does not identify historical stock. No exact native protein identifier adopted. Routine HPLC assay: 20mM Tris-HCl pH7.8,30C,100uM NADPH,3uM FMN,500uM substrate, SsuE/PrnD molar ratio4.0. This is assay composition, not complex stoichiometry or in-vivo flux.
DOI:10.1074/jbc.M505334200
https://www.ncbi.nlm.nih.gov/nuccore/CP000076.1
https://www.ncbi.nlm.nih.gov/nuccore/U74493.1
  • reference
    DOI:10.1074/jbc.M505334200
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Main Methods/Results inspected; supplement unread.
    retrieved on
    2026-10-06
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/CP000076.1
    evidence type
    CURATOR_INFERENCE
    notes
    Published PrnD primer cores disagree with native Pf-5 PFL_3607/AAY92873.1 termini.
    retrieved on
    2026-10-06
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/U74493.1
    evidence type
    CURATOR_INFERENCE
    notes
    Published PrnD primer cores match BL915 AAB97507.1 termini; that match does not identify the complete historical preparation.
    retrieved on
    2026-10-06
Aminopyrrolnitrin was_substrate_for In-vitro SsuE-assisted PrnD oxidation Exact pyrrolnitrin precursor; distinct from the separately assayed arylamine surrogates.
DOI:10.1074/jbc.M505334200
  • reference
    DOI:10.1074/jbc.M505334200
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Main Methods/Results inspected; supplement unread.
    retrieved on
    2026-10-06
In-vitro SsuE-assisted PrnD oxidation yielded Pyrrolnitrin HPLC standard retention, purified-product 1H NMR and high-resolution EI-MS support product identity. No native-cell production rate inferred.
DOI:10.1074/jbc.M505334200
  • reference
    DOI:10.1074/jbc.M505334200
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Main Methods/Results inspected; supplement unread.
    retrieved on
    2026-10-06
NADPH assay electron donor was_supplied_as_electron_donor_for In-vitro SsuE-assisted PrnD oxidation NADPH supplied with FMN and SsuE; no exclusive endogenous electron donor asserted.
DOI:10.1074/jbc.M505334200
  • reference
    DOI:10.1074/jbc.M505334200
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Main Methods/Results inspected; supplement unread.
    retrieved on
    2026-10-06
FMN supplied in assay was_supplied_as_flavin_for In-vitro SsuE-assisted PrnD oxidation Supplied FMN is not a permanently bound prosthetic-group claim; no direct visualization of transfer asserted.
DOI:10.1074/jbc.M505334200
  • reference
    DOI:10.1074/jbc.M505334200
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Main Methods/Results inspected; supplement unread.
    retrieved on
    2026-10-06
PrnD native BL915 sequence example is_native_reference_for Reconstituted study PrnD (sequence unresolved) UniProtKB:P95483 is the deposited native sequence reference for Reconstituted study PrnD (sequence unresolved) (node 'prnd'); the experimental preparation node remains review_needed because recombinant tags, host-specific processing, or undeposited construct sequences are not equated with the native entry.
https://www.uniprot.org/uniprotkb/P95483
DOI:10.1074/jbc.M505334200
  • reference
    https://www.uniprot.org/uniprotkb/P95483
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-17
    notes
    Reviewed Pseudomonas fluorescens BL915 PrnD aminopyrrolnitrin oxygenase (P95483, U74493.1 AAB97507.1, 363 aa); canonical native sequence reference.
  • reference
    DOI:10.1074/jbc.M505334200
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Primary study reporting Reconstituted study PrnD (sequence unresolved) (node 'prnd'); the experimental preparation is anchored to UniProtKB:P95483 as its native wild-type reference without equating construct and native sequences.
E. coli K-12 SsuE sequence example is_native_reference_for Study SsuE preparation (sequence unresolved) UniProtKB:P80644 is the deposited native sequence reference for Study SsuE preparation (sequence unresolved) (node 'ssue'); the experimental preparation node remains review_needed because recombinant tags, host-specific processing, or undeposited construct sequences are not equated with the native entry.
https://www.uniprot.org/uniprotkb/P80644
DOI:10.1074/jbc.M505334200
  • reference
    https://www.uniprot.org/uniprotkb/P80644
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-17
    notes
    Reviewed Escherichia coli K-12 SsuE FMN reductase (P80644, b0937, 191 aa); canonical E. coli K-12 sequence reference.
  • reference
    DOI:10.1074/jbc.M505334200
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Primary study reporting Study SsuE preparation (sequence unresolved) (node 'ssue'); the experimental preparation is anchored to UniProtKB:P80644 as its native wild-type reference without equating construct and native sequences.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Bioactivities 25

Entries preserve source qualifiers, targets and evidence. Repeated assay names or values are not independent replications; inspect source detail for differences.

AssayResultTarget enzymeSource detail
A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells.OTHER 21.136 uM; NOT_DETERMINEDNot recorded
pubchem.aid:624296
assay
A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells.
evidence
  • reference
    pubchem.aid:624296
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 624296, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_056979 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
21.136
units
uM
CYP3A4 induction through human pregnane X receptor (PXR) by small molecules, qHTS assayOTHER 11.2202 uM; ACTIVENot recorded
pubchem.aid:1346984
assay
CYP3A4 induction through human pregnane X receptor (PXR) by small molecules, qHTS assay
evidence
  • reference
    pubchem.aid:1346984
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1346984, deposited by 824; assay type Confirmatory. Source endpoint: Potency. Target accession ABI96208 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
OTHER
value
11.2202
units
uM
Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entryOTHER 39.8107 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1645845
assay
Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry
evidence
  • reference
    pubchem.aid:1645845
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645845, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
39.8107
units
uM
Human pregnane X receptor (PXR) activation by small molecules, qHTS assayOTHER 14.1254 uM; ACTIVENot recorded
pubchem.aid:1346985
assay
Human pregnane X receptor (PXR) activation by small molecules, qHTS assay
evidence
  • reference
    pubchem.aid:1346985
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1346985, deposited by 824; assay type Confirmatory. Source endpoint: Potency. Target accession ADZ17384 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
OTHER
value
14.1254
units
uM
Inhibitors of USP1/UAF1: Pilot qHTSOTHER 39.8107 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504865
assay
Inhibitors of USP1/UAF1: Pilot qHTS
evidence
  • reference
    pubchem.aid:504865
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504865, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAH18745 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
39.8107
units
uM
P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screenOTHER 29.0929 uM; NOT_DETERMINEDNot recorded
PMID:31515284
assay
P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen
evidence
  • reference
    PMID:31515284
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1346987, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
29.0929
units
uM
Primary qHTS assay for inhibitors of human arachidonate 12S-lipoxygenase (ALOX12): Round 2OTHER 100 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1671190
assay
Primary qHTS assay for inhibitors of human arachidonate 12S-lipoxygenase (ALOX12): Round 2
evidence
  • reference
    pubchem.aid:1671190
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1671190, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
100.0
units
uM
Primary qHTS assay for inhibitors of human arachidonate 12S-lipoxygenase (ALOX12): Round 2OTHER 100 uM; NOT_DETERMINEDUniProtKB:P18054
pubchem.aid:1671190
assay
Primary qHTS assay for inhibitors of human arachidonate 12S-lipoxygenase (ALOX12): Round 2
evidence
  • reference
    pubchem.aid:1671190
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1671190, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
100.0
units
uM
target enzyme
UniProtKB:P18054
Primary qHTS for inhibitors of MERS-S pseudo-typed particle cell entryOTHER 39.8107 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1479149
assay
Primary qHTS for inhibitors of MERS-S pseudo-typed particle cell entry
evidence
  • reference
    pubchem.aid:1479149
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1479149, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
39.8107
units
uM
Primary qHTS for inhibitors of SARS-S pseudo-typed particle cell entryOTHER 39.8107 uM; NOT_DETERMINEDUniProtKB:P59594
pubchem.aid:1479145
assay
Primary qHTS for inhibitors of SARS-S pseudo-typed particle cell entry
evidence
  • reference
    pubchem.aid:1479145
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1479145, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
39.8107
units
uM
target enzyme
UniProtKB:P59594
Primary qHTS to identify inhibitors of SARS-CoV-2 cell entryOTHER 39.8107 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1645846
assay
Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry
evidence
  • reference
    pubchem.aid:1645846
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645846, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
39.8107
units
uM
VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activityOTHER 12.5893 uM; NOT_DETERMINEDNot recorded
pubchem.aid:2546
assay
VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity
evidence
  • reference
    pubchem.aid:2546
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2546, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_035411 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
12.5893
units
uM
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)OTHER 35.4813 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1645883
assay
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)
evidence
  • reference
    pubchem.aid:1645883
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645883, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
35.4813
units
uM
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)OTHER 35.4813 uM; NOT_DETERMINEDUniProtKB:O95398
pubchem.aid:1645883
assay
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)
evidence
  • reference
    pubchem.aid:1645883
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645883, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
35.4813
units
uM
target enzyme
UniProtKB:O95398
Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)OTHER 56.2341 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1645886
assay
Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)
evidence
  • reference
    pubchem.aid:1645886
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645886, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
56.2341
units
uM
Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)OTHER 56.2341 uM; NOT_DETERMINEDUniProtKB:Q8WZA2
pubchem.aid:1645886
assay
Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)
evidence
  • reference
    pubchem.aid:1645886
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645886, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
56.2341
units
uM
target enzyme
UniProtKB:Q8WZA2
qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9aOTHER 3.5481 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504332
assay
qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a
evidence
  • reference
    pubchem.aid:504332
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504332, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession CAQ07474 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
3.5481
units
uM
qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel ActivityOTHER 35.4813 uM; NOT_DETERMINEDNot recorded
pubchem.aid:588834
assay
qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
evidence
  • reference
    pubchem.aid:588834
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 588834, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_001191727 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
35.4813
units
uM
qHTS assay for identifying genotoxic compounds that show differential cytotoxicity against isogenic chicken DT40 cell lines with known DNA damage response pathways - Rad54/Ku70 mutant cell lineOTHER 26.6032 uM; ACTIVENot recorded
pubchem.aid:743015
assay
qHTS assay for identifying genotoxic compounds that show differential cytotoxicity against isogenic chicken DT40 cell lines with known DNA damage response pathways - Rad54/Ku70 mutant cell line
evidence
  • reference
    pubchem.aid:743015
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 743015, deposited by 824; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
26.6032
units
uM
qHTS assay for identifying genotoxic compounds that show differential cytotoxicity against isogenic chicken DT40 cell lines with known DNA damage response pathways - Rev3 mutant cell lineOTHER 23.7101 uM; ACTIVENot recorded
pubchem.aid:743014
assay
qHTS assay for identifying genotoxic compounds that show differential cytotoxicity against isogenic chicken DT40 cell lines with known DNA damage response pathways - Rev3 mutant cell line
evidence
  • reference
    pubchem.aid:743014
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 743014, deposited by 824; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
23.7101
units
uM
qHTS assay for identifying genotoxic compounds that show differential cytotoxicity against isogenic chicken DT40 cell lines with known DNA damage response pathways - wild type cell lineOTHER 18.8336 uM; ACTIVENot recorded
pubchem.aid:743012
assay
qHTS assay for identifying genotoxic compounds that show differential cytotoxicity against isogenic chicken DT40 cell lines with known DNA damage response pathways - wild type cell line
evidence
  • reference
    pubchem.aid:743012
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 743012, deposited by 824; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
18.8336
units
uM
qHTS assay for small molecule agonists of the p53 signaling pathwayOTHER 26.6032 uM; NOT_DETERMINEDUniProtKB:P04637
pubchem.aid:651631
assay
qHTS assay for small molecule agonists of the p53 signaling pathway
evidence
  • reference
    pubchem.aid:651631
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 651631, deposited by 824; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
26.6032
units
uM
target enzyme
UniProtKB:P04637
qHTS assay for small molecule agonists of the p53 signaling pathway - cell viabilityOTHER 33.4915 uM; ACTIVENot recorded
pubchem.aid:651633
assay
qHTS assay for small molecule agonists of the p53 signaling pathway - cell viability
evidence
  • reference
    pubchem.aid:651633
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 651633, deposited by 824; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
33.4915
units
uM
qHTS assay for small molecule disruptors of the mitochondrial membrane potentialOTHER 2.9849 uM; ACTIVENot recorded
pubchem.aid:720635
assay
qHTS assay for small molecule disruptors of the mitochondrial membrane potential
evidence
  • reference
    pubchem.aid:720635
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 720635, deposited by 824; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
2.9849
units
uM
qHTS assay for small molecule disruptors of the mitochondrial membrane potential - cell viabilityOTHER 10.5909 uM; ACTIVENot recorded
pubchem.aid:720634
assay
qHTS assay for small molecule disruptors of the mitochondrial membrane potential - cell viability
evidence
  • reference
    pubchem.aid:720634
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 720634, deposited by 824; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
10.5909
units
uM
notes
38 further PubChem assay results are in data/raw/pubchem_bioassay.tsv but not written here.

Elsewhere in the fleet

Explore across X-Mech

AntibioticMech (pyrrolnitrin) ↗ MediaIngredientMech (CHEBI:32079) ↗ TaxonMech: Pseudomonas chlororaphis (NCBITaxon:587753) ↗ PathwayMech (mibig:BGC0000924) ↗

Provenance

Source conceptSourceVersion
BGC0000924MIBIG5
CHEBI:32079CHEBI3-star

This page is generated from data/natural_products/alkaloids/pyrrolnitrin.yaml, which is generated from the committed inventories. Neither is edited by hand.