pentamycin
naturalproductmech:mibig-8f6371287a MINTED SEEDED enzyme inhibitor
Structure
| Standard InChIKey | AGJUUQSLGVCRQA-PJEYIJQRSA-N |
|---|---|
| SMILES | CCCCC[C@H](C1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CC(C(C(/C(=C/C=C/C=C/C=C/C=C/[C@H](C(OC1=O)C)O)/C)O)O)O)O)O)O)O)O)O |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:60196306, CHEBI:31639, chembl:CHEMBL2272031 |
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.
| Taxon | Basis | Cluster | Evidence |
|---|---|---|---|
| Streptomyces lavendulae strain YAKB-15 NCBITaxon:1914 |
BGC_CORRELATED | mibig:BGC0002789 | DOI:10.1007/s00253-023-12672-4 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0002789 | Streptomyces lavendulae strain YAKB-15 NCBITaxon:1914 |
CLUSTER_CORRELATED | genbank:SMSN01000006.1 |
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.
Bioactivities 10
| Assay | Result | Reference |
|---|---|---|
| Primary qHTS Assay for Inhibitors of Recombinant Selenoprotein Glutathione Peroxidase 4 (GPX4) | 22.3872 uM | pubchem.aid:1845192 |
| Primary qHTS Assay for Inhibitors of Recombinant Selenoprotein Glutathione Peroxidase 4 (GPX4) | 22.3872 uM | pubchem.aid:1845192 |
| Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2) | 1.122 uM | pubchem.aid:1645887 |
| Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2) | 1.122 uM | pubchem.aid:1645887 |
| Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2) | 3.1623 uM | pubchem.aid:1645886 |
| Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2) | 3.1623 uM | pubchem.aid:1645886 |
| qHTS assay to identify small molecule agonists of the estrogen receptor alpha (ER-alpha) signaling pathway | 15.089 uM | pubchem.aid:743075 |
| qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway | 0.0076 uM | pubchem.aid:743035 |
| qHTS assay to identify small molecule antagonists of the thyroid receptor (TR) signaling pathway - cell viability counter screen | 0.266 uM | pubchem.aid:743064 |
| qHTS for Inhibitors of binding or entry into cells for Marburg Virus | 15.8489 uM | pubchem.aid:720532 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0002789 | MIBIG | 2 |
This page is generated from data/natural_products/polyketides/pentamycin.yaml, which is generated from the committed inventories. Neither is edited by hand.