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desferrioxamine E

CHEBI:50437 EXACT SEEDED antibacterialenzyme inhibitor

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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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 cyclic hydroxamic acid siderophore that is produced by several bacterial species and exhibits antitumour activity.

Structure

Standard InChIKeyNHKCCADZVLTPPO-UHFFFAOYSA-N
SMILESC1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O)O
Stereochemistryfully defined
Cross-referencespubchem:161532

Filing pathway

Amino acids and peptides — 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 3

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
Streptomyces coelicolor A3(2)
NCBITaxon:100226		 BGC_CHARACTERIZED mibig:BGC0000940 PMID:15600304
Streptomyces sp. ID38640
NCBITaxon:1265399		 SOURCE_ASSERTION mibig:BGC0001478 DOI:10.1016/j.chembiol.2018.02.008
Pantoea agglomerans
NCBITaxon:549		 SOURCE_ASSERTION mibig:BGC0001572 PMID:15600304

Occurrences 25

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 wadayamensis
NCBITaxon:141454		 LOTUS DOI:10.1128/GENOMEA.00625-14
Streptomyces parvulus
NCBITaxon:146923		 LOTUS DOI:10.1556/030.63.2016.029
Citricoccus
NCBITaxon:169133		 LOTUS DOI:10.1016/J.MICRES.2011.01.004
Nocardia
NCBITaxon:1817		 LOTUS DOI:10.1107/S0108768183002360
Streptomyces
NCBITaxon:1883		 LOTUS DOI:10.1016/J.CHEMBIOL.2018.02.008
Streptomyces
NCBITaxon:1883		 LOTUS DOI:10.1021/NP040220G
Streptomyces
NCBITaxon:1883		 LOTUS DOI:10.1021/NP200470U
Streptomyces albidoflavus
NCBITaxon:1886		 LOTUS DOI:10.1007/S10295-013-1383-2
Streptomyces albidoflavus
NCBITaxon:1886		 LOTUS DOI:10.1016/B978-0-12-404634-4.00014-0
Streptomyces albidoflavus
NCBITaxon:1886		 LOTUS DOI:10.1021/JA045774K
Streptomyces albidoflavus
NCBITaxon:1886		 LOTUS DOI:10.1099/MIC.0.000524
Streptomyces albidoflavus
NCBITaxon:1886		 LOTUS DOI:10.1111/J.1574-6968.2006.00362.X
Streptomyces albidoflavus
NCBITaxon:1886		 LOTUS DOI:10.1128/MBIO.00459-13
Streptomyces atratus
NCBITaxon:1893		 LOTUS DOI:10.3389/FMICB.2018.01269
Streptomyces coelicolor
NCBITaxon:1902		 LOTUS DOI:10.1007/S10295-013-1383-2
Streptomyces coelicolor
NCBITaxon:1902		 LOTUS DOI:10.1016/B978-0-12-404634-4.00014-0
Streptomyces coelicolor
NCBITaxon:1902		 LOTUS DOI:10.1021/JA045774K
Streptomyces coelicolor
NCBITaxon:1902		 LOTUS DOI:10.1099/MIC.0.000524
Streptomyces coelicolor
NCBITaxon:1902		 LOTUS DOI:10.1111/J.1574-6968.2006.00362.X
Streptomyces coelicolor
NCBITaxon:1902		 LOTUS DOI:10.1128/MBIO.00459-13
Streptomyces griseus
NCBITaxon:1911		 LOTUS DOI:10.1099/MIC.0.28139-0
Streptomyces sp.
NCBITaxon:1931		 CHEBI PMID:21879726
Streptomyces chartreusis
NCBITaxon:1969		 LOTUS DOI:10.1073/PNAS.1715713115
Streptomyces collinus
NCBITaxon:42684		 LOTUS DOI:10.1007/S10295-015-1685-7
Streptomyces olivaceus
NCBITaxon:47716		 LOTUS DOI:10.1007/BF00173718

Biosynthetic gene clusters 3

AccessionHostLocus evidenceGenome
mibig:BGC0000940 Streptomyces coelicolor A3(2)
NCBITaxon:100226 		CLUSTER_DEMONSTRATED genbank:AL645882.2
mibig:BGC0001478 Streptomyces sp. ID38640
NCBITaxon:1265399 		CLUSTER_UNSTATED genbank:MG459167.1
mibig:BGC0001572 Pantoea agglomerans
NCBITaxon:549 		CLUSTER_UNSTATED genbank:MH015039.1

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
4 DesD ATP-dependent siderophore synthetase
UniProtKB:Q9L069		 CHEBI:50443 → CHEBI:50437 DOI:10.1038/nchembio.2007.23

Step 4: Streptomyces coelicolor M145 DesD catalyzes ATP-dependent trimerization and macrocyclization of three N-(3-carboxypropanoyl)-N-hydroxycadaverine molecules to form desferrioxamine E. No exact Rhea reaction was available for this macrocyclization.

Mechanism & Biosynthesis Overview

PRODUCERS & OCCURRENCE 3 producers (1 causal) 25 cited occurrences BIOSYNTHETIC LOCUS 3 gene clusters 1 curated pathway step NATURAL PRODUCT desferrioxamine E CHEBI:50437 Amino acids and peptides TARGETS & BIOACTIVITY 0 molecular targets 25 bioactivities · 2 graphs

Causal graph — biosynthesis 3 nodes, 2 edges

Streptomyces coelicolor M145 DesD-catalyzed ATP-dependent trimerization and macrocyclization of HSC to desferrioxamine E.

SubjectPredicateObjectNotesEvidence
N-(3-carboxypropanoyl)-N-hydroxycadaverine is trimerized and macrocyclized by DesD CHEBI:50443 names this succinylated hydroxamate precursor N-(3-carboxypropanoyl)-N-hydroxycadaverine; the desferrioxamine literature also abbreviates it as HSC.
DOI:10.1038/nchembio.2007.23
https://mibig.secondarymetabolites.org/repository/BGC0000940.5/
https://www.uniprot.org/uniprotkb/Q9L069
  • reference
    DOI:10.1038/nchembio.2007.23
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    purified recombinant desferrioxamine siderophore synthetase DesD
    notes
    Kadi et al. purified recombinant Streptomyces coelicolor M145 DesD and showed ATP-dependent trimerization-macrocyclization of HSC into desferrioxamine E.
  • reference
    https://mibig.secondarymetabolites.org/repository/BGC0000940.5/
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-09-30
    notes
    MIBiG entry version 5 maps BGC0000940 to desferrioxamine E biosynthesis in Streptomyces coelicolor A3(2), on AL645882.2 at 3033355-3040682, and lists CAB87222.1 / SCO2785 as a scaffold-biosynthesis ATP-dependent siderophore synthetase with knockout and activity-assay evidence.
  • reference
    https://www.uniprot.org/uniprotkb/Q9L069
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-09-30
    notes
    Unreviewed UniProtKB:Q9L069 is the Streptomyces coelicolor ATCC BAA-471 / A3(2) / M145 DesD entry with gene name desD, ordered locus SCO2785, and EMBL protein CAB87222.1.
DesD forms desferrioxamine E DesD forms the cyclic trishydroxamate desferrioxamine E from three HSC units through ATP-dependent condensation.
DOI:10.1038/nchembio.2007.23
https://mibig.secondarymetabolites.org/repository/BGC0000940.5/
https://www.uniprot.org/uniprotkb/Q9L069
  • reference
    DOI:10.1038/nchembio.2007.23
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    purified recombinant desferrioxamine siderophore synthetase DesD
    notes
    Kadi et al. purified recombinant Streptomyces coelicolor M145 DesD and showed ATP-dependent trimerization-macrocyclization of HSC into desferrioxamine E.
  • reference
    https://mibig.secondarymetabolites.org/repository/BGC0000940.5/
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-09-30
    notes
    MIBiG entry version 5 maps BGC0000940 to desferrioxamine E biosynthesis in Streptomyces coelicolor A3(2), on AL645882.2 at 3033355-3040682, and lists CAB87222.1 / SCO2785 as a scaffold-biosynthesis ATP-dependent siderophore synthetase with knockout and activity-assay evidence.
  • reference
    https://www.uniprot.org/uniprotkb/Q9L069
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-09-30
    notes
    Unreviewed UniProtKB:Q9L069 is the Streptomyces coelicolor ATCC BAA-471 / A3(2) / M145 DesD entry with gene name desD, ordered locus SCO2785, and EMBL protein CAB87222.1.

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

Causal graph — biosynthesis 5 nodes, 4 edges

Streptomyces coelicolor M145 premature-stop genetics. Five-day ISP-2 extract LC-HRMS/MS signals are assigned to free desferrioxamine E, not metal complexes or absolute concentrations. Canonical proteins denote targeted loci, not mutant sequences. No direct catalysis, complete activity loss, protein-specific independence, or quantitative complementation rescue is asserted. Gene-only traces do not distinguish alternative stop alleles.

SubjectPredicateObjectNotesEvidence
desG premature-stop mutant disrupts_encoding_gene_of DesG (SCO4049) native reference SCO4049: designed W61*; no mutant protein accession assigned.
DOI:10.1371/journal.pbio.3003183
DOI:10.1371/journal.pbio.3003183.s013
DOI:10.1371/journal.pbio.3003183.s014
https://www.uniprot.org/uniprotkb/Q9AK68
https://www.ebi.ac.uk/ena/browser/view/AL939118.1
  • reference
    DOI:10.1371/journal.pbio.3003183
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Results 4; mutant construction methods.
  • reference
    DOI:10.1371/journal.pbio.3003183.s013
    evidence type
    PRIMARY_EXPERIMENT
    notes
    S5 Table: constructs; plasmid-name disagreements retained above.
  • reference
    DOI:10.1371/journal.pbio.3003183.s014
    evidence type
    CURATOR_INFERENCE
    notes
    S6 Table guide and check-primer sequences map uniquely in AL939118.1; target codons permit stop-generating base edits. Complement primers replace the native stop with TAA without changing translated residues.
  • reference
    https://www.uniprot.org/uniprotkb/Q9AK68
    evidence type
    DATABASE_ASSERTION
    notes
    Unreviewed SCO4049, taxon 100226 (A3(2)/M145), 782 aa, sequence version 1; EMBL protein CAC32320.1. Automated functional annotations are not adopted.
    retrieved on
    2026-10-10
  • reference
    https://www.ebi.ac.uk/ena/browser/view/AL939118.1
    evidence type
    CURATOR_INFERENCE
    notes
    CAC32320.1: full native CDS translation under table 11 equals Q9AK68. Reference matching does not sequence the experimental stock.
desG premature-stop mutant increases_assigned_LC_MS_signal_of desferrioxamine E Genetic metabolite-profile comparison, not purified enzyme activity. Native desG/desH coding intervals overlap by eight bases; polar effects, bystander edits and pathway compensation are not excluded.
DOI:10.1371/journal.pbio.3003183
DOI:10.1371/journal.pbio.3003183.s004
DOI:10.1371/journal.pbio.3003183.s012
DOI:10.1371/journal.pbio.3003183.s002
https://www.ebi.ac.uk/ena/browser/view/AL939118.1
  • reference
    DOI:10.1371/journal.pbio.3003183
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Results 4, Fig 3a; extraction and LC-MS methods.
    snippet
    significant increase in DFO E
  • reference
    DOI:10.1371/journal.pbio.3003183.s004
    evidence type
    PRIMARY_EXPERIMENT
    notes
    S4 Fig: genotype-labelled extracted-ion chromatograms.
  • reference
    DOI:10.1371/journal.pbio.3003183.s012
    evidence type
    PRIMARY_EXPERIMENT
    notes
    S4 Table: free E [M+H]+, predicted 601.3556 m/z. Metal-bound/adduct channels are not this compound node.
  • reference
    DOI:10.1371/journal.pbio.3003183.s002
    evidence type
    PRIMARY_EXPERIMENT
    notes
    S2 Fig E spectrum: cosine 0.9981, library CCMSLIB00005467773. This is spectral annotation, not a new structural determination.
  • reference
    https://www.ebi.ac.uk/ena/browser/view/AL939118.1
    evidence type
    CURATOR_INFERENCE
    notes
    Coordinate comparison: SCO4049 213677..216025(+); SCO4050 216018..216638(+); eight shared bases. Reference geometry does not demonstrate polar effects.
desH premature-stop mutant disrupts_encoding_gene_of DesH (SCO4050) native reference SCO4050: designed W43* or Q91*; no mutant protein accession assigned. W43* vector is pGWS1598 in methods but pGWS1589 in S5 Table; pGWS1598 also names the complement.
DOI:10.1371/journal.pbio.3003183
DOI:10.1371/journal.pbio.3003183.s013
DOI:10.1371/journal.pbio.3003183.s014
https://www.uniprot.org/uniprotkb/Q9AK67
https://www.ebi.ac.uk/ena/browser/view/AL939118.1
  • reference
    DOI:10.1371/journal.pbio.3003183
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Results 4; mutant construction methods.
  • reference
    DOI:10.1371/journal.pbio.3003183.s013
    evidence type
    PRIMARY_EXPERIMENT
    notes
    S5 Table: constructs; plasmid-name disagreements retained above.
  • reference
    DOI:10.1371/journal.pbio.3003183.s014
    evidence type
    CURATOR_INFERENCE
    notes
    S6 Table guide and check-primer sequences map uniquely in AL939118.1; target codons permit stop-generating base edits. Complement primers replace the native stop with TAA without changing translated residues.
  • reference
    https://www.uniprot.org/uniprotkb/Q9AK67
    evidence type
    DATABASE_ASSERTION
    notes
    Unreviewed SCO4050, taxon 100226 (A3(2)/M145), 206 aa, sequence version 1; EMBL protein CAC32321.1. Automated functional annotations are not adopted.
    retrieved on
    2026-10-10
  • reference
    https://www.ebi.ac.uk/ena/browser/view/AL939118.1
    evidence type
    CURATOR_INFERENCE
    notes
    CAC32321.1: full native CDS translation under table 11 equals Q9AK67. Reference matching does not sequence the experimental stock.
desH premature-stop mutant increases_assigned_LC_MS_signal_of desferrioxamine E Genetic metabolite-profile comparison, not purified enzyme activity. Native desG/desH coding intervals overlap by eight bases; polar effects, bystander edits and pathway compensation are not excluded.
DOI:10.1371/journal.pbio.3003183
DOI:10.1371/journal.pbio.3003183.s004
DOI:10.1371/journal.pbio.3003183.s012
DOI:10.1371/journal.pbio.3003183.s002
https://www.ebi.ac.uk/ena/browser/view/AL939118.1
  • reference
    DOI:10.1371/journal.pbio.3003183
    evidence type
    PRIMARY_EXPERIMENT
    notes
    Results 4, Fig 3a; extraction and LC-MS methods.
  • reference
    DOI:10.1371/journal.pbio.3003183.s004
    evidence type
    PRIMARY_EXPERIMENT
    notes
    S4 Fig: genotype-labelled extracted-ion chromatograms.
  • reference
    DOI:10.1371/journal.pbio.3003183.s012
    evidence type
    PRIMARY_EXPERIMENT
    notes
    S4 Table: free E [M+H]+, predicted 601.3556 m/z. Metal-bound/adduct channels are not this compound node.
  • reference
    DOI:10.1371/journal.pbio.3003183.s002
    evidence type
    PRIMARY_EXPERIMENT
    notes
    S2 Fig E spectrum: cosine 0.9981, library CCMSLIB00005467773. This is spectral annotation, not a new structural determination.
  • reference
    https://www.ebi.ac.uk/ena/browser/view/AL939118.1
    evidence type
    CURATOR_INFERENCE
    notes
    Coordinate comparison: SCO4049 213677..216025(+); SCO4050 216018..216638(+); eight shared bases. Reference geometry does not demonstrate polar effects.

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 4.1095 uM; INACTIVENot 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 endpoint: Potency. Target accession NP_056979 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
OTHER
value
4.1095
units
uM
Absorbance-based bacterial cell-based high throughput dose response assay for inhibitors of AddAB recombination protein complexIC50 118.575 uM; INACTIVENot recorded
pubchem.aid:492959
assay
Absorbance-based bacterial cell-based high throughput dose response assay for inhibitors of AddAB recombination protein complex
evidence
  • reference
    pubchem.aid:492959
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 492959, deposited by The Scripps Research Institute Molecular Screening Center; assay type Confirmatory.
call
INACTIVE
measurement type
IC50
value
118.575
units
uM
Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay for inhibitors of bacterial viabilityIC50 118.575 uM; INACTIVENot recorded
pubchem.aid:492958
assay
Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay for inhibitors of bacterial viability
evidence
  • reference
    pubchem.aid:492958
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 492958, deposited by The Scripps Research Institute Molecular Screening Center; assay type Confirmatory.
call
INACTIVE
measurement type
IC50
value
118.575
units
uM
Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay to identify inhibitors of RecBCDIC50 118.575 uM; INACTIVENot recorded
pubchem.aid:492957
assay
Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay to identify inhibitors of RecBCD
evidence
  • reference
    pubchem.aid:492957
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 492957, deposited by The Scripps Research Institute Molecular Screening Center; assay type Confirmatory. Target accession NP_417296 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
IC50
value
118.575
units
uM
Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay to identify inhibitors of RecBCDIC50 118.575 uM; INACTIVENot recorded
pubchem.aid:492957
assay
Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay to identify inhibitors of RecBCD
evidence
  • reference
    pubchem.aid:492957
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 492957, deposited by The Scripps Research Institute Molecular Screening Center; assay type Confirmatory. Target accession NP_417297 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
IC50
value
118.575
units
uM
Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay to identify inhibitors of RecBCDIC50 118.575 uM; INACTIVENot recorded
pubchem.aid:492957
assay
Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay to identify inhibitors of RecBCD
evidence
  • reference
    pubchem.aid:492957
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 492957, deposited by The Scripps Research Institute Molecular Screening Center; assay type Confirmatory. Target accession NP_417299 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
IC50
value
118.575
units
uM
Dose respone, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS16-Galphao.EC50 2.24 uM; ACTIVENot recorded
pubchem.aid:1888
assay
Dose respone, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS16-Galphao.
evidence
  • reference
    pubchem.aid:1888
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1888, deposited by NMMLSC; assay type Confirmatory. Target accession NP_002919 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
EC50
value
2.24
units
uM
Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS19-Galphao.EC50 2.06 uM; ACTIVENot recorded
pubchem.aid:1884
assay
Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS19-Galphao.
evidence
  • reference
    pubchem.aid:1884
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1884, deposited by NMMLSC; assay type Confirmatory. Target accession NP_001034556 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
EC50
value
2.06
units
uM
Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS4-Galphao.EC50 2.59 uM; ACTIVENot recorded
pubchem.aid:1872
assay
Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS4-Galphao.
evidence
  • reference
    pubchem.aid:1872
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1872, deposited by NMMLSC; assay type Confirmatory. Target accession ABC94590 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
EC50
value
2.59
units
uM
Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS7-Galphao.EC50 2.36 uM; ACTIVENot recorded
pubchem.aid:1871
assay
Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS7-Galphao.
evidence
  • reference
    pubchem.aid:1871
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1871, deposited by NMMLSC; assay type Confirmatory. Target accession AAC50351 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
EC50
value
2.36
units
uM
HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone TailsOTHER 63.0957 uM; INACTIVENot recorded
pubchem.aid:540317
assay
HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails
evidence
  • reference
    pubchem.aid:540317
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 540317, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession NP_001120700 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
OTHER
value
63.0957
units
uM
Nrf2 qHTS screen for inhibitorsOTHER 29.0929 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504444
assay
Nrf2 qHTS screen for inhibitors
evidence
  • reference
    pubchem.aid:504444
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504444, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_001138884 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
29.0929
units
uM
Primary qHTS for Inhibitors of ATXN expressionOTHER 35.4813 uM; NOT_DETERMINEDNot recorded
PMID:35787375
assay
Primary qHTS for Inhibitors of ATXN expression
evidence
  • reference
    PMID:35787375
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1745845, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
35.4813
units
uM
Primary qHTS for Inhibitors of ATXN expressionOTHER 35.4813 uM; NOT_DETERMINEDUniProtKB:Q99700
PMID:35787375
assay
Primary qHTS for Inhibitors of ATXN expression
evidence
  • reference
    PMID:35787375
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1745845, 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:Q99700
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubationOTHER 5.8584 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504832
assay
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation
evidence
  • reference
    pubchem.aid:504832
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504832, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
5.8584
units
uM
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubationOTHER 10.4179 uM; ACTIVENot recorded
pubchem.aid:504834
assay
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation
evidence
  • reference
    pubchem.aid:504834
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504834, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
10.4179
units
uM
activity class
ENZYME_INHIBITOR
qHTS Assay for Inhibitors of BAZ2BOTHER 79.4328 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504333
assay
qHTS Assay for Inhibitors of BAZ2B
evidence
  • reference
    pubchem.aid:504333
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504333, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession BAA89212 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
79.4328
units
uM
qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase)OTHER 89.1251 uM; ACTIVENot recorded
pubchem.aid:1490
assay
qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase)
evidence
  • reference
    pubchem.aid:1490
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1490, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession AAG24257 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
OTHER
value
89.1251
units
uM
activity class
ENZYME_INHIBITOR
qHTS Assay for Inhibitors of DNA Polymerase BetaOTHER 1.4125 uM; NOT_DETERMINEDNot recorded
pubchem.aid:485314
assay
qHTS Assay for Inhibitors of DNA Polymerase Beta
evidence
  • reference
    pubchem.aid:485314
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 485314, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_002681 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
1.4125
units
uM
qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E)OTHER 7.9433 uM; ACTIVENot recorded
pubchem.aid:2147
assay
qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E)
evidence
  • reference
    pubchem.aid:2147
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2147, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession 2W2I_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
OTHER
value
7.9433
units
uM
activity class
ENZYME_INHIBITOR
qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Primary ScreenOTHER 6.3096 uM; INACTIVENot recorded
pubchem.aid:720542
assay
qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Primary Screen
evidence
  • reference
    pubchem.aid:720542
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 720542, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession AAN35928 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
OTHER
value
6.3096
units
uM
qHTS for Inhibitors of Polymerase IotaOTHER 89.1251 uM; INACTIVENot recorded
pubchem.aid:588590
assay
qHTS for Inhibitors of Polymerase Iota
evidence
  • reference
    pubchem.aid:588590
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 588590, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession NP_009126 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
OTHER
value
89.1251
units
uM
qHTS for Inhibitors of TGF-bOTHER 14.1254 uM; INACTIVENot recorded
pubchem.aid:588855
assay
qHTS for Inhibitors of TGF-b
evidence
  • reference
    pubchem.aid:588855
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 588855, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession AAL68976 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
OTHER
value
14.1254
units
uM
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPTOTHER 29.0929 uM; NOT_DETERMINEDNot recorded
pubchem.aid:686978
assay
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT
evidence
  • reference
    pubchem.aid:686978
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 686978, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAI07878 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
29.0929
units
uM
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPTOTHER 29.0929 uM; NOT_DETERMINEDNot recorded
pubchem.aid:686979
assay
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT
evidence
  • reference
    pubchem.aid:686979
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 686979, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAI07878 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
29.0929
units
uM
notes
43 further PubChem assay results are in data/raw/pubchem_bioassay.tsv but not written here.

Elsewhere in the fleet

Explore across X-Mech

AntibioticMech (desferrioxamine E) ↗ MediaIngredientMech (CHEBI:50437) ↗ TaxonMech: Streptomyces coelicolor A3(2) (NCBITaxon:100226) ↗ TaxonMech: Streptomyces sp. ID38640 (NCBITaxon:1265399) ↗ TaxonMech: Pantoea agglomerans (NCBITaxon:549) ↗ PathwayMech (mibig:BGC0000940) ↗ PathwayMech (mibig:BGC0001478) ↗ PathwayMech (mibig:BGC0001572) ↗

Open questions 1

shared-structure — This structure is reported by more than one MIBiG entry: BGC0000940, BGC0001478, BGC0001572. Confirm they describe the same compound rather than an upstream cross-reference error.

Provenance

Source conceptSourceVersion
BGC0000940MIBIG5
BGC0001478MIBIG5
BGC0001572MIBIG3
CHEBI:50437CHEBI3-star

This page is generated from data/natural_products/amino_acids_and_peptides/desferrioxamine-e.yaml, which is generated from the committed inventories. Neither is edited by hand.