geldanamycin
naturalproductmech:mibig-905ccbc6f4 MINTED SEEDED enzyme inhibitor
Structure
| Standard InChIKey | QSAMODLUYGNFJU-LEBIDKMGSA-N |
|---|---|
| SMILES | CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](CC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |
| Stereochemistry | fully defined |
| Cross-references | npatlas:NPA019914, pubchem:5288382 |
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 hygroscopicus NCBITaxon:1912 |
SOURCE_ASSERTION | mibig:BGC0000066 | PMID:12586396 |
Occurrences 1
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.
| Taxon | Source | Reference |
|---|---|---|
| Streptomyces hygroscopicus NCBITaxon:1912 |
LOTUS | DOI:10.1016/S0378-1097(02)01148-5 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000066 | Streptomyces hygroscopicus NCBITaxon:1912 |
CLUSTER_UNSTATED | genbank:AY179507.1 |
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 14
| Assay | Result | Reference |
|---|---|---|
| Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB | KD 1.2 uM | PMID:11931608 |
| Fluorescence Polarization Assay (FPA) from Article 10.1111/cbdd.12371: "Discovery of novel 17-phenylethylaminegeldanamycin derivatives as potent Hsp90 inhibitors." | IC50 0.14 uM | PMID:24903735 |
| HTS assay for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1: Hit Confirmation | 1.4068 uM | pubchem.aid:624248 |
| Inhibitors of the vitamin D receptor (VDR): qHTS | 79.4328 uM | pubchem.aid:504847 |
| qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia | 3.5397 uM | pubchem.aid:2451 |
| qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS | 35.4813 uM | pubchem.aid:602332 |
| qHTS for Inhibitors of binding or entry into cells for Lassa Virus | 17.7828 uM | pubchem.aid:720533 |
| qHTS for Inhibitors of binding or entry into cells for Marburg Virus | 15.8489 uM | pubchem.aid:720532 |
| qHTS for inhibitors of ROR gamma transcriptional activity | 4.4668 uM | pubchem.aid:2551 |
| qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1: Hit Confirmation using MMS Stimulated ELG1 | 1.9872 uM | pubchem.aid:624249 |
| qHTS screen for small molecules that inhibit ELG1-dependent DNA repair: Hit Confirmation with 5FU Viability | 17.7111 uM | pubchem.aid:624250 |
| qHTS screen for small molecules that inhibit ELG1-dependent DNA repair: Hit Confirmation with MMS Viability | 14.0684 uM | pubchem.aid:624251 |
| qHTS screen for small molecules that inhibit ELG1-dependent DNA repair: Hit Confirmation with Unstimulated Viability Assay | 4.9917 uM | pubchem.aid:624252 |
| qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Coupling assay counterscreen | ACTIVE | pubchem.aid:2472 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0000066 | MIBIG | 5 |
This page is generated from data/natural_products/polyketides/geldanamycin-2.yaml, which is generated from the committed inventories. Neither is edited by hand.