NaturalProductMech

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radicicol

naturalproductmech:mibig-7fc8631300 MINTED SEEDED enzyme inhibitor

Grounding review: No 3-star ChEBI entry shares this structure, so the record keeps a content-hashed identifier.
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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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.

Structure

Standard InChIKeyWYZWZEOGROVVHK-UHFFFAOYSA-N
SMILESCC1CC2OC2C=CC=CC(=O)CC2=C(C(O)=CC(O)=C2Cl)C(=O)O1
Stereochemistry undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers
Cross-referencesnpatlas:NPA03487, pubchem:6323491

Filing pathway

Polyketides — 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 pks, 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
Pochonia chlamydosporia
NCBITaxon:280754		 SOURCE_ASSERTION mibig:BGC0000134 PMID:18567690

Occurrences 2

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
Ilyonectria radicicola
NCBITaxon:64609		 LOTUS DOI:10.1016/0040-4039(64)80029-0
Metacordyceps chlamydosporia
NCBITaxon:280754		 LOTUS DOI:10.1128/AEM.00478-08

Biosynthetic gene clusters 1

AccessionHostLocus evidenceGenome
mibig:BGC0000134 Pochonia chlamydosporia
NCBITaxon:280754 		CLUSTER_UNSTATED genbank:EU520419.1

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.

#EnzymeReactionSubstrate → productEvidence
1 Rdc2 flavin-dependent halogenase
UniProtKB:B3FWT7		 ungrounded → naturalproductmech:mibig-7fc8631300 https://www.uniprot.org/uniprotkb/B3FWT7/entry
2 Rdc4 cytochrome P450 monooxygenase (proposed epoxidation)
UniProtKB:B3FWT9		 ungrounded → ungrounded https://www.uniprot.org/uniprotkb/B3FWT9/entry
3 Rdc1 non-reducing polyketide synthase (native reference; proposed role)
UniProtKB:B3FWT6		 ungrounded → ungrounded https://www.uniprot.org/uniprotkb/B3FWT6/entry
4 Rdc5 reducing polyketide synthase (native reference; proposed role)
UniProtKB:B3FWU0		 ungrounded → ungrounded https://www.uniprot.org/uniprotkb/B3FWU0/entry

Entry 1: Database-annotated Rdc2 chlorination of monocillin I to radicicol, from reviewed UniProt B3FWT7. The proposed flag retains the local uncertainty from uninspected primary experiments; the source annotation is not recast as a newly observed assay. Monocillin I has no independently verified structural CURIE here. The radicicol product is represented at the existing owner's unspecified stereochemical resolution, not assigned new stereochemistry. No pathway order, balanced reaction, construct details, or measured signal processing is inferred. MITE0000427v2's monocillin II-to-pochonin D intermediate example is a different reaction and is not used as this product.

Entry 2: UniProt proposes Rdc4 as a possible epoxide-forming post-PKS enzyme in radicicol biosynthesis. This is a database-proposed role, not a verified isolated-enzyme conversion. No exact substrate, immediate product, reaction stoichiometry or pathway order relative to Rdc2 was established. The owner has unspecified stereochemistry; no epoxide configuration is assigned.

Entry 3: Database-proposed participation in assembly of the radicicol polyketide framework. This is a named biosynthetic role, not a demonstrated conversion to the exact owner. No substrate, immediate product, iteration count, enzyme order, epoxide configuration or exact (R)-monocillin II structure is assigned. The accession denotes the native ATCC 16683 reference, not a verified recombinant assay stock.

Entry 4: Database-proposed participation in assembly of the radicicol polyketide framework. This is a named biosynthetic role, not a demonstrated conversion to the exact owner. No substrate, immediate product, iteration count, enzyme order, epoxide configuration or exact (R)-monocillin II structure is assigned. The accession denotes the native ATCC 16683 reference, not a verified recombinant assay stock.

Mechanism & Biosynthesis Overview

PRODUCERS & OCCURRENCE 1 producer (0 causal) 2 cited occurrences BIOSYNTHETIC LOCUS 1 gene cluster 4 curated pathway steps NATURAL PRODUCT radicicol naturalproductmech:mibig-7fc8631300 Polyketides TARGETS & BIOACTIVITY 9 molecular targets 25 bioactivities · 5 graphs

Causal graph — bioactivity 4 nodes, 3 edges

Radicicol inhibits Saccharomyces cerevisiae HSP82 and engages human HSP90-alpha and HSP90-beta.

SubjectPredicateObjectNotesEvidence
radicicol inhibits Saccharomyces cerevisiae ATP-dependent molecular chaperone HSP82 BindingDB rows 95-98 and BindingDB-deposited PubChem BioAssay AIDs 1797382, 1799517, and 1799518 map this exact Standard InChIKey to 30-200 nM active IC50 measurements against Saccharomyces cerevisiae HSP82; P02829 resolves in UniProtKB to the S288c HSP82 gene product.
DOI:10.1016/j.chembiol.2004.03.033
DOI:10.1016/j.chembiol.2006.09.015
  • reference
    DOI:10.1016/j.chembiol.2004.03.033
    evidence type
    PRIMARY_EXPERIMENT
    notes
    PMID:15217611 underlies the BindingDB/PubChem HSP82 ATPase-inhibition measurement.
  • reference
    DOI:10.1016/j.chembiol.2006.09.015
    evidence type
    PRIMARY_EXPERIMENT
    notes
    PMID:17114002 underlies the BindingDB/PubChem HSP82 fluorescence-polarization and Malachite Green assay measurements.
radicicol binds human heat shock protein HSP 90-alpha BindingDB row 99 and BindingDB-deposited PubChem BioAssay AID 1802791 map this exact Standard InChIKey to an active 46.3 nM Kd by isothermal titration calorimetry against human HSP90-alpha [1-236]; P07900 resolves in UniProtKB to the human HSP90AA1 gene product.
DOI:10.1074/jbc.M113.533885
  • reference
    DOI:10.1074/jbc.M113.533885
    evidence type
    PRIMARY_EXPERIMENT
    notes
    PMID:24356970 underlies the BindingDB/PubChem HSP90-alpha ITC measurement; inactive PDK2 IC50/Kd rows from the same article were not represented in this graph.
radicicol binds human heat shock protein HSP 90-beta BindingDB rows 100-101 and BindingDB-deposited PubChem BioAssay AIDs 1797381 and 1797384 map this exact Standard InChIKey to active 150 nM IC50 measurements against human HSP90-beta; P08238 resolves in UniProtKB to the human HSP90AB1 gene product.
DOI:10.1021/jm050355z
DOI:10.1016/j.bmcl.2005.08.092
  • reference
    DOI:10.1021/jm050355z
    evidence type
    PRIMARY_EXPERIMENT
    notes
    PMID:15974572 underlies one BindingDB/PubChem fluorescence-polarization measurement against HSP90-beta.
  • reference
    DOI:10.1016/j.bmcl.2005.08.092
    evidence type
    PRIMARY_EXPERIMENT
    notes
    PMID:16202589 underlies the second BindingDB/PubChem fluorescence-polarization measurement against HSP90-beta.

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

Causal graph — bioactivity 2 nodes, 1 edge

Radicicol binds the Saccharolobus shibatae type II DNA topoisomerase VI subunit B ATPase.

SubjectPredicateObjectNotesEvidence
radicicol binds Saccharolobus shibatae TopoVI-B PubChem BioAssay AID 977611 maps this exact Standard InChIKey to a 2 uM Kd row for PDB 2ZBK chain B; RCSB maps 2ZBK_B to Saccharolobus shibatae UniProtKB:O05207 and reports bound RDC radicicol.
DOI:10.1016/j.str.2007.12.020
DOI:10.2210/pdb2zbk/pdb
  • reference
    DOI:10.1016/j.str.2007.12.020
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    Crystal Structure of an Intact Type II DNA Topoisomerase: Insights into DNA Transfer Mechanisms
    notes
    Graille et al. solved PDB 2ZBK, a Radicicol-bound intact archaeal type II DNA topoisomerase VI.
  • reference
    DOI:10.2210/pdb2zbk/pdb
    evidence type
    DATABASE_ASSERTION
    notes
    RCSB PDB identifies 2ZBK as an intact type II DNA topoisomerase structure, maps entity 2 auth chain B to UniProtKB:O05207, and records nonpolymer entity 3 as RDC radicicol.

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

Causal graph — biosynthesis 3 nodes, 2 edges

Partial, database-annotated Rdc2 monocillin I-to-radicicol reaction from the Pochonia chlamydosporia ATCC 16683 native reference. UniProt supplies the reaction assertion; native sequence agreement supplies protein grounding, not independent experimental verification. Precursor identity and product stereochemistry remain unresolved.

SubjectPredicateObjectNotesEvidence
Monocillin I (UniProt annotation; structure ungrounded) is_database_asserted_substrate_of Pochonia chlamydosporia Rdc2 flavin-dependent halogenase UniProt's named monocillin I substrate only. No exact precursor structure or isolated-enzyme assay was independently verified; MITE's monocillin II example is not substituted.
https://www.uniprot.org/uniprotkb/B3FWT7/entry
https://www.ncbi.nlm.nih.gov/protein/ACD39771.1
https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
  • reference
    https://www.uniprot.org/uniprotkb/B3FWT7/entry
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    to convert monocillin I into radicicol
    notes
    Reviewed UniProtKB B3FWT7, entry 40/sequence 1 (annotation 2026-09-02), explicitly assigns this conversion to Rdc2 within radicicol biosynthesis. The annotation concerns Metacordyceps chlamydosporia (Pochonia chlamydosporia), NCBITaxon:280754. Its cited experiments were not inspected: PMID:18567690 / DOI:10.1128/AEM.00478-08 and PMID:20827793 / DOI:10.1002/cbic.201000439 were inaccessible in this pass. This is a database annotation, not a newly verified isolated-enzyme assay or a claim of resolved product stereochemistry.
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ACD39771.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    non-heme halogenase [Pochonia chlamydosporia]
    notes
    GenPept ACD39771.1 identifies Rdc2, 519 aa, strain ATCC 16683, taxon 280754, and a six-part coded_by join on EU520419.1. Its complete sequence equals UniProtKB:B3FWT7. This supports protein identity only, not the substrate/product assignment or historical assay-stock identity.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    Pochonia chlamydosporia strain ATCC 16683 radicicol gene cluster, partial sequence
    notes
    EU520419.1 is the 31,332-nt native cluster reference also named by this owner's BGC0000134. The Rdc2 CDS is complete despite the cluster's partial-sequence description and the gene/mRNA's fuzzy boundaries. Its protein_id is ACD39771.1. This is a native-reference association, not new production evidence.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-08
    notes
    Independent reference-identity audit: plus-strand CDS exons 8912..9036, 9114..9210, 9280..9319, 9406..9813, 9882..10424 and 10502..10848 (1-based inclusive) agree with GenPept coded_by. The 1,560-nt joined CDS, codon_start 1, translates under standard table 1 to the complete 519-aa GenPept/UniProt precursor. No transl_table qualifier was present, so table 1 is the standard default. The UniProt predicted signal/chain boundaries were not used to truncate the sequence or to assert measured processing. Native sequence identity does not independently prove catalysis, strain-specific production, or exact substrate stereochemistry.
Pochonia chlamydosporia Rdc2 flavin-dependent halogenase has_database_asserted_product Radicicol (owner stereochemistry unspecified) Database-annotated Rdc2 chlorination of monocillin I to radicicol, from reviewed UniProt B3FWT7. The proposed flag retains the local uncertainty from uninspected primary experiments; the source annotation is not recast as a newly observed assay. Monocillin I has no independently verified structural CURIE here. The radicicol product is represented at the existing owner's unspecified stereochemical resolution, not assigned new stereochemistry. No pathway order, balanced reaction, construct details, or measured signal processing is inferred. MITE0000427v2's monocillin II-to-pochonin D intermediate example is a different reaction and is not used as this product.
https://www.uniprot.org/uniprotkb/B3FWT7/entry
https://www.ncbi.nlm.nih.gov/protein/ACD39771.1
https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
  • reference
    https://www.uniprot.org/uniprotkb/B3FWT7/entry
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    to convert monocillin I into radicicol
    notes
    Reviewed UniProtKB B3FWT7, entry 40/sequence 1 (annotation 2026-09-02), explicitly assigns this conversion to Rdc2 within radicicol biosynthesis. The annotation concerns Metacordyceps chlamydosporia (Pochonia chlamydosporia), NCBITaxon:280754. Its cited experiments were not inspected: PMID:18567690 / DOI:10.1128/AEM.00478-08 and PMID:20827793 / DOI:10.1002/cbic.201000439 were inaccessible in this pass. This is a database annotation, not a newly verified isolated-enzyme assay or a claim of resolved product stereochemistry.
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ACD39771.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    non-heme halogenase [Pochonia chlamydosporia]
    notes
    GenPept ACD39771.1 identifies Rdc2, 519 aa, strain ATCC 16683, taxon 280754, and a six-part coded_by join on EU520419.1. Its complete sequence equals UniProtKB:B3FWT7. This supports protein identity only, not the substrate/product assignment or historical assay-stock identity.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    Pochonia chlamydosporia strain ATCC 16683 radicicol gene cluster, partial sequence
    notes
    EU520419.1 is the 31,332-nt native cluster reference also named by this owner's BGC0000134. The Rdc2 CDS is complete despite the cluster's partial-sequence description and the gene/mRNA's fuzzy boundaries. Its protein_id is ACD39771.1. This is a native-reference association, not new production evidence.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-08
    notes
    Independent reference-identity audit: plus-strand CDS exons 8912..9036, 9114..9210, 9280..9319, 9406..9813, 9882..10424 and 10502..10848 (1-based inclusive) agree with GenPept coded_by. The 1,560-nt joined CDS, codon_start 1, translates under standard table 1 to the complete 519-aa GenPept/UniProt precursor. No transl_table qualifier was present, so table 1 is the standard default. The UniProt predicted signal/chain boundaries were not used to truncate the sequence or to assert measured processing. Native sequence identity does not independently prove catalysis, strain-specific production, or exact substrate stereochemistry.

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

Causal graph — biosynthesis 2 nodes, 1 edge

Partial, database-proposed Rdc4 epoxidation role in radicicol biosynthesis. Native sequence evidence grounds the protein but does not verify a catalytic reaction or an exact precursor/product pair.

SubjectPredicateObjectNotesEvidence
Pochonia chlamydosporia Rdc4 cytochrome P450 is_database_proposed_biosynthetic_enzyme_for Radicicol (owner stereochemistry unspecified) UniProt proposes Rdc4 as a possible epoxide-forming post-PKS enzyme in radicicol biosynthesis. This is a database-proposed role, not a verified isolated-enzyme conversion. No exact substrate, immediate product, reaction stoichiometry or pathway order relative to Rdc2 was established. The owner has unspecified stereochemistry; no epoxide configuration is assigned.
https://www.uniprot.org/uniprotkb/B3FWT9/entry
https://www.ncbi.nlm.nih.gov/protein/ACD39773.1
https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
  • reference
    https://www.uniprot.org/uniprotkb/B3FWT9/entry
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    could introduce the epoxide and the chlorine, respectively
    notes
    Reviewed UniProtKB B3FWT9, entry 46/sequence 1, annotation 2026-09-02. The FUNCTION text proposes Rdc4 and Rdc2 as possible epoxide- and chlorine-introducing enzymes, respectively. The organism is Metacordyceps chlamydosporia (Pochonia chlamydosporia), taxon 280754. PMID:18567690 / DOI:10.1128/AEM.00478-08 was not accessible in this pass; no primary experiment was inspected. The alternative protein name mentioning hypothemycin is not used to identify the compound or to assert an exact reaction.
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ACD39773.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    cytochrome P450 [Pochonia chlamydosporia]
    notes
    GenPept ACD39773.1 identifies Rdc4, 492 aa, strain ATCC 16683, taxon 280754, with a reverse-strand three-exon coded_by on EU520419.1. Its full sequence equals UniProtKB:B3FWT9. This grounds the native reference protein, not its catalytic role, an experimental construct or historical assay-stock identity.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-08
    notes
    Independent reference-identity audit on the owner's native BGC0000134 reference: reverse-strand CDS exons 19813..20929, 19551..19749 and 19331..19493 (1-based inclusive, transcript order) agree with GenPept coded_by. The complete 1,479-nt spliced CDS, codon_start 1, translates to the same 492-aa sequence in GenPept, UniProt and the annotated CDS. Standard table 1 was used because transl_table is absent. Exact CDS boundaries, not fuzzy gene/mRNA boundaries, were used. This does not establish epoxidation, native production, reaction order or stereochemistry.

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

Causal graph — biosynthesis 3 nodes, 2 edges

Partial, database-proposed native Rdc1/Rdc5 polyketide-assembly roles in radicicol biosynthesis. No exact catalytic-product edge or inter-enzyme order is asserted. The separate 2010 reconstitution concerns an upstream named monocillin II intermediate; exact assay-construct and stereochemical matching remain unresolved and are not inferred from a stereo-unspecified MITE model.

SubjectPredicateObjectNotesEvidence
Pochonia chlamydosporia Rdc1 non-reducing polyketide synthase (native reference; proposed role) is_database_proposed_biosynthetic_enzyme_for Radicicol (owner stereochemistry unspecified) Database-proposed participation in assembly of the radicicol polyketide framework. This is a named biosynthetic role, not a demonstrated conversion to the exact owner. No substrate, immediate product, iteration count, enzyme order, epoxide configuration or exact (R)-monocillin II structure is assigned. The accession denotes the native ATCC 16683 reference, not a verified recombinant assay stock.
https://www.uniprot.org/uniprotkb/B3FWT6/entry
https://www.ncbi.nlm.nih.gov/protein/ACD39770.1
https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
  • reference
    https://www.uniprot.org/uniprotkb/B3FWT6/entry
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    Non-reducing polyketide synthase; part of the gene cluster
    notes
    Reviewed UniProt B3FWT6, entry 74/sequence 1, names Rdc1 in radicicol biosynthesis. Only that proposed biosynthetic participation is adopted. The older tentative four/four iteration proposal and unrelated HSP90 wording are not propagated. DOI:10.1128/AEM.00478-08 remains an access stop. The 2010 abstract (DOI:10.1074/jbc.M110.183574) was read separately but does not establish exact assay-stock mapping or the complete product stereochemistry here.
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ACD39770.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    non-reducing polyketide synthase [Pochonia chlamydosporia]
    notes
    GenPept ACD39770.1 identifies native Rdc1, 2090 aa, ATCC 16683, taxon 280754, and EU520419.1 coded_by. Its full sequence equals UniProtKB:B3FWT6. This grounds the native reference, not a recombinant construct, catalytic conversion or strain-specific production experiment.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-08
    notes
    Independent Rdc1 native-reference audit on this owner's BGC0000134: reverse-strand CDS 1392..7664, 6273 nt (1-based inclusive), codon_start 1, standard table 1, translates to the same complete 2090-aa GenPept/UniProt/CDS sequence. GenPept coded_by independently matches the boundaries and orientation. No exact intermediate structure, pathway order, enzyme iteration count or assay conditions follow from this sequence correspondence.
Pochonia chlamydosporia Rdc5 reducing polyketide synthase (native reference; proposed role) is_database_proposed_biosynthetic_enzyme_for Radicicol (owner stereochemistry unspecified) Database-proposed participation in assembly of the radicicol polyketide framework. This is a named biosynthetic role, not a demonstrated conversion to the exact owner. No substrate, immediate product, iteration count, enzyme order, epoxide configuration or exact (R)-monocillin II structure is assigned. The accession denotes the native ATCC 16683 reference, not a verified recombinant assay stock.
https://www.uniprot.org/uniprotkb/B3FWU0/entry
https://www.ncbi.nlm.nih.gov/protein/ACD39774.1
https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
  • reference
    https://www.uniprot.org/uniprotkb/B3FWU0/entry
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    Reducing polyketide synthase; part of the gene cluster
    notes
    Reviewed UniProt B3FWU0, entry 84/sequence 1, names Rdc5 in radicicol biosynthesis. Only that proposed biosynthetic participation is adopted. The older tentative four/four iteration proposal and unrelated HSP90 wording are not propagated. DOI:10.1128/AEM.00478-08 remains an access stop. The 2010 abstract (DOI:10.1074/jbc.M110.183574) was read separately but does not establish exact assay-stock mapping or the complete product stereochemistry here.
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ACD39774.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-08
    snippet
    reducing polyketide synthase [Pochonia chlamydosporia]
    notes
    GenPept ACD39774.1 identifies native Rdc5, 2383 aa, ATCC 16683, taxon 280754, and EU520419.1 coded_by. Its full sequence equals UniProtKB:B3FWU0. This grounds the native reference, not a recombinant construct, catalytic conversion or strain-specific production experiment.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/EU520419.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-08
    notes
    Independent Rdc5 native-reference audit on this owner's BGC0000134: plus-strand CDS exons 23042..26947 and 27006..30251, 7152 joined nt (1-based inclusive), codon_start 1, standard table 1, translates to the same complete 2383-aa GenPept/UniProt/CDS sequence. GenPept coded_by independently matches the boundaries and orientation. No exact intermediate structure, pathway order, enzyme iteration count or assay conditions follow from this sequence correspondence.

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

Molecular targets 9

TargetTarget organismMeasurementEvidence
ATP-dependent molecular chaperone HSP82
PROTEIN BINDS
UniProtKB:P02829		 Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
NCBITaxon:559292		 IC50 200 nM
PMID:15217611
  • reference
    PMID:15217611
    evidence type
    DATABASE_ASSERTION
    notes
    BindingDB own-curated affinity; measured at pH 7.4000, 37.00 C C; qualifier LESS_THAN.
ATP-dependent molecular chaperone HSP82
PROTEIN BINDS
UniProtKB:P02829		 Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
NCBITaxon:559292		 IC50 200 nM
PMID:17114002
  • reference
    PMID:17114002
    evidence type
    DATABASE_ASSERTION
    notes
    BindingDB own-curated affinity; qualifier EQUAL.
ATP-dependent molecular chaperone HSP82
PROTEIN BINDS
UniProtKB:P02829		 Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
NCBITaxon:559292		 IC50 47 nM
PMID:17114002
  • reference
    PMID:17114002
    evidence type
    DATABASE_ASSERTION
    notes
    BindingDB own-curated affinity; qualifier EQUAL.
ATP-dependent molecular chaperone HSP82
PROTEIN BINDS
UniProtKB:P02829		 Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
NCBITaxon:559292		 IC50 30 nM
PMID:17114002
  • reference
    PMID:17114002
    evidence type
    DATABASE_ASSERTION
    notes
    BindingDB own-curated affinity; qualifier EQUAL.
Heat shock protein HSP 90-alpha [1-236]
PROTEIN BINDS
UniProtKB:P07900		 Homo sapiens
NCBITaxon:9606		 KD 46.3 nM
PMID:24356970
  • reference
    PMID:24356970
    evidence type
    DATABASE_ASSERTION
    notes
    BindingDB own-curated affinity; measured at pH 7.5000, 15.00 C C; qualifier EQUAL.
Heat shock protein HSP 90-beta
PROTEIN BINDS
UniProtKB:P08238		 Homo sapiens
NCBITaxon:9606		 IC50 150 nM
PMID:15974572
  • reference
    PMID:15974572
    evidence type
    DATABASE_ASSERTION
    notes
    BindingDB own-curated affinity; measured at pH 7.4000, 22.00 C C; qualifier EQUAL.
Heat shock protein HSP 90-beta
PROTEIN BINDS
UniProtKB:P08238		 Homo sapiens
NCBITaxon:9606		 IC50 150 nM
PMID:16202589
  • reference
    PMID:16202589
    evidence type
    DATABASE_ASSERTION
    notes
    BindingDB own-curated affinity; measured at pH 7.4000, 22.00 C C; qualifier EQUAL.
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
PROTEIN BINDS
UniProtKB:Q15119		 Homo sapiens
NCBITaxon:9606		 IC50 77800 nM
PMID:24356970
  • reference
    PMID:24356970
    evidence type
    DATABASE_ASSERTION
    notes
    BindingDB own-curated affinity; measured at pH 7.5000, 25.00 C C; qualifier EQUAL.
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
PROTEIN BINDS
UniProtKB:Q15119		 Homo sapiens
NCBITaxon:9606		 KD 18600 nM
PMID:24356970
  • reference
    PMID:24356970
    evidence type
    DATABASE_ASSERTION
    notes
    BindingDB own-curated affinity; measured at pH 7.5000, 15.00 C C; qualifier EQUAL.

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
Colorimetric Determination of ATPase Activity from Article 10.1016/j.chembiol.2004.03.033: "Structure-activity relationships in purine-based inhibitor binding to HSP90 isoforms."IC50 0.2 uM; ACTIVEUniProtKB:P02829
PMID:15217611
assay
Colorimetric Determination of ATPase Activity from Article 10.1016/j.chembiol.2004.03.033: "Structure-activity relationships in purine-based inhibitor binding to HSP90 isoforms."
evidence
  • reference
    PMID:15217611
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1797382, deposited by BindingDB; assay type Confirmatory.
call
ACTIVE
measurement type
IC50
value
0.2
units
uM
target enzyme
UniProtKB:P02829
activity class
ENZYME_INHIBITOR
Constitutive androstane receptor (CAR) small molecule agonists, cell-based qHTS assay in HepG2 cellsOTHER 0.3099 uM; INACTIVENot recorded
pubchem.aid:2202728
assay
Constitutive androstane receptor (CAR) small molecule agonists, cell-based qHTS assay in HepG2 cells
evidence
  • reference
    pubchem.aid:2202728
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202728, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
0.3099
units
uM
Constitutive androstane receptor (CAR) small molecule agonists, cell-based qHTS assay in HepG2 cellsOTHER 0.3099 uM; INACTIVENot recorded
pubchem.aid:2202728
assay
Constitutive androstane receptor (CAR) small molecule agonists, cell-based qHTS assay in HepG2 cells
evidence
  • reference
    pubchem.aid:2202728
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202728, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession ADZ17385 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
OTHER
value
0.3099
units
uM
Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDBIC50 400 uM; ACTIVENot recorded
PMID:17683942
assay
Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB
evidence
  • reference
    PMID:17683942
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 977608, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 2Q8I_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
IC50
value
400.0
units
uM
activity class
ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDBKD 0.0027 uM; ACTIVENot recorded
PMID:9925731
assay
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB
evidence
  • reference
    PMID:9925731
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1BGQ_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
KD
value
0.0027
units
uM
activity class
ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDBKD 2 uM; ACTIVENot recorded
PMID:18334211
assay
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB
evidence
  • reference
    PMID:18334211
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 2ZBK_B was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
KD
value
2.0
units
uM
activity class
ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDBKD 715 uM; ACTIVENot recorded
PMID:18440021
assay
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB
evidence
  • reference
    PMID:18440021
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 3CGY_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
KD
value
715.0
units
uM
activity class
ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDBKD 0.09 uM; ACTIVENot recorded
PMID:19236053
assay
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB
evidence
  • reference
    PMID:19236053
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 2WER_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
KD
value
0.09
units
uM
activity class
ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDBKD 0.019 uM; ACTIVENot recorded
PMID:22573733
assay
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB
evidence
  • reference
    PMID:22573733
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other.
call
ACTIVE
measurement type
KD
value
0.019
units
uM
activity class
ENZYME_INHIBITOR
FP Assay from Article 10.1016/j.chembiol.2006.09.015: "Inhibition of Hsp90 with synthetic macrolactones: synthesis and structural and biological evaluation of ring and conformational analogs of radicicol."IC50 0.03 uM; ACTIVEUniProtKB:P02829
PMID:17114002
assay
FP Assay from Article 10.1016/j.chembiol.2006.09.015: "Inhibition of Hsp90 with synthetic macrolactones: synthesis and structural and biological evaluation of ring and conformational analogs of radicicol."
evidence
  • reference
    PMID:17114002
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1799517, deposited by BindingDB; assay type Confirmatory.
call
ACTIVE
measurement type
IC50
value
0.03
units
uM
target enzyme
UniProtKB:P02829
activity class
ENZYME_INHIBITOR
FP Assay from Article 10.1016/j.chembiol.2006.09.015: "Inhibition of Hsp90 with synthetic macrolactones: synthesis and structural and biological evaluation of ring and conformational analogs of radicicol."IC50 0.047 uM; ACTIVEUniProtKB:P02829
PMID:17114002
assay
FP Assay from Article 10.1016/j.chembiol.2006.09.015: "Inhibition of Hsp90 with synthetic macrolactones: synthesis and structural and biological evaluation of ring and conformational analogs of radicicol."
evidence
  • reference
    PMID:17114002
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1799517, deposited by BindingDB; assay type Confirmatory.
call
ACTIVE
measurement type
IC50
value
0.047
units
uM
target enzyme
UniProtKB:P02829
activity class
ENZYME_INHIBITOR
Fluorescence Polarization (FP) Assay from Article 10.1016/j.bmcl.2005.08.092: "Structure-based discovery of a new class of Hsp90 inhibitors."IC50 0.15 uM; ACTIVEUniProtKB:P08238
PMID:16202589
assay
Fluorescence Polarization (FP) Assay from Article 10.1016/j.bmcl.2005.08.092: "Structure-based discovery of a new class of Hsp90 inhibitors."
evidence
  • reference
    PMID:16202589
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1797384, deposited by BindingDB; assay type Confirmatory.
call
ACTIVE
measurement type
IC50
value
0.15
units
uM
target enzyme
UniProtKB:P08238
Fluorescence Polarization (FP) Assay from Article 10.1021/jm050355z: "Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design."IC50 0.15 uM; ACTIVEUniProtKB:P08238
PMID:15974572
assay
Fluorescence Polarization (FP) Assay from Article 10.1021/jm050355z: "Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design."
evidence
  • reference
    PMID:15974572
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1797381, deposited by BindingDB; assay type Confirmatory.
call
ACTIVE
measurement type
IC50
value
0.15
units
uM
target enzyme
UniProtKB:P08238
activity class
ENZYME_INHIBITOR
Isothermal Titration Calorimetry (ITC) from Article 10.1074/jbc.M113.533885: "Structure-guided development of specific pyruvate dehydrogenase kinase inhibitors targeting the ATP-binding pocket."KD 0.0463 uM; ACTIVEUniProtKB:P07900
PMID:24356970
assay
Isothermal Titration Calorimetry (ITC) from Article 10.1074/jbc.M113.533885: "Structure-guided development of specific pyruvate dehydrogenase kinase inhibitors targeting the ATP-binding pocket."
evidence
  • reference
    PMID:24356970
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1802791, deposited by BindingDB; assay type Confirmatory.
call
ACTIVE
measurement type
KD
value
0.0463
units
uM
target enzyme
UniProtKB:P07900
activity class
ENZYME_INHIBITOR
Isothermal Titration Calorimetry (ITC) from Article 10.1074/jbc.M113.533885: "Structure-guided development of specific pyruvate dehydrogenase kinase inhibitors targeting the ATP-binding pocket."KD 18.6 uM; INACTIVEUniProtKB:Q15119
PMID:24356970
assay
Isothermal Titration Calorimetry (ITC) from Article 10.1074/jbc.M113.533885: "Structure-guided development of specific pyruvate dehydrogenase kinase inhibitors targeting the ATP-binding pocket."
evidence
  • reference
    PMID:24356970
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1802791, deposited by BindingDB; assay type Confirmatory.
call
INACTIVE
measurement type
KD
value
18.6
units
uM
target enzyme
UniProtKB:Q15119
Malachite Green Assay from Article 10.1016/j.chembiol.2006.09.015: "Inhibition of Hsp90 with synthetic macrolactones: synthesis and structural and biological evaluation of ring and conformational analogs of radicicol."IC50 0.2 uM; ACTIVEUniProtKB:P02829
PMID:17114002
assay
Malachite Green Assay from Article 10.1016/j.chembiol.2006.09.015: "Inhibition of Hsp90 with synthetic macrolactones: synthesis and structural and biological evaluation of ring and conformational analogs of radicicol."
evidence
  • reference
    PMID:17114002
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1799518, deposited by BindingDB; assay type Confirmatory.
call
ACTIVE
measurement type
IC50
value
0.2
units
uM
target enzyme
UniProtKB:P02829
activity class
ENZYME_INHIBITOR
P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screenOTHER 0.4375 uM; ACTIVENot 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 endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.4375
units
uM
P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screenOTHER 5.7016 uM; ACTIVENot 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 endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
5.7016
units
uM
PDK Inhibition Assay from Article 10.1074/jbc.M113.533885: "Structure-guided development of specific pyruvate dehydrogenase kinase inhibitors targeting the ATP-binding pocket."IC50 77.8 uM; INACTIVEUniProtKB:Q15119
PMID:24356970
assay
PDK Inhibition Assay from Article 10.1074/jbc.M113.533885: "Structure-guided development of specific pyruvate dehydrogenase kinase inhibitors targeting the ATP-binding pocket."
evidence
  • reference
    PMID:24356970
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1802790, deposited by BindingDB; assay type Confirmatory.
call
INACTIVE
measurement type
IC50
value
77.8
units
uM
target enzyme
UniProtKB:Q15119
Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)OTHER 2.3576 uM; NOT_DETERMINEDUniProtKB:Q8JUX6
pubchem.aid:1964107
assay
Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)
evidence
  • reference
    pubchem.aid:1964107
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1964107, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
2.3576
units
uM
target enzyme
UniProtKB:Q8JUX6
Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)OTHER 3.8482 uM; NOT_DETERMINEDUniProtKB:Q8JUX6
pubchem.aid:1964107
assay
Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)
evidence
  • reference
    pubchem.aid:1964107
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1964107, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
3.8482
units
uM
target enzyme
UniProtKB:Q8JUX6
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)OTHER 0.2747 uM; ACTIVENot recorded
pubchem.aid:1645877
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)
evidence
  • reference
    pubchem.aid:1645877
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645877, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.2747
units
uM
activity class
ENZYME_INHIBITOR
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)OTHER 0.2747 uM; ACTIVEUniProtKB:O96028
pubchem.aid:1645877
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)
evidence
  • reference
    pubchem.aid:1645877
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645877, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.2747
units
uM
target enzyme
UniProtKB:O96028
activity class
ENZYME_INHIBITOR
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)OTHER 0.6397 uM; ACTIVENot recorded
pubchem.aid:1645877
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)
evidence
  • reference
    pubchem.aid:1645877
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645877, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.6397
units
uM
activity class
ENZYME_INHIBITOR
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)OTHER 0.6397 uM; ACTIVEUniProtKB:O96028
pubchem.aid:1645877
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)
evidence
  • reference
    pubchem.aid:1645877
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645877, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.6397
units
uM
target enzyme
UniProtKB:O96028
activity class
ENZYME_INHIBITOR
notes
22 further PubChem assay results are in data/raw/pubchem_bioassay.tsv but not written here.

Explore across X-Mech

AntibioticMech (radicicol) ↗ MediaIngredientMech (naturalproductmech:mibig-7fc8631300) ↗ TaxonMech: Pochonia chlamydosporia (NCBITaxon:280754) ↗ PathwayMech (mibig:BGC0000134) ↗

Provenance

Source conceptSourceVersion
BGC0000134MIBIG3

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