echinomycin
naturalproductmech:mibig-0b86a253f1 MINTED SEEDED antiparasiticantiviralcytotoxicenzyme inhibitor
Structure
| Standard InChIKey | AUJXLBOHYWTPFV-CVLRASHMSA-N |
|---|---|
| SMILES | C[C@@H]1C(=O)N([C@H]2CSC([C@@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)[C@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:458034, pubchem:3197 |
Filing pathway
Unclassified — 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 nrps, 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 lasaliensis NCBITaxon:324833 |
SOURCE_ASSERTION | mibig:BGC0000339 | PMID:16799553 |
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 echinatus NCBITaxon:67293 |
LOTUS | DOI:10.1002/HLCA.19590420127 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000339 | Streptomyces lasaliensis NCBITaxon:324833 |
CLUSTER_UNSTATED | genbank:AB211309.1 |
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 25
| Assay | Result | Reference |
|---|---|---|
| 7124-02: inhibition of TNFa signaling in B cell lineage, counterscreen | EC50 0.0005 uM | pubchem.aid:1259334 |
| Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay | IC50 81.5 uM | pubchem.aid:624474 |
| Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay - Set 2 | IC50 70.2 uM | pubchem.aid:651563 |
| In vivo-based yeast HTS to detect compounds rescuing yeast growth/survival of Plasmodium Falciparum HSP40-mediated toxicity Measured in Whole Organism System Using Plate Reader - 2120-01_Inhibitor_Dose_CherryPick_Activity | 12 uM | pubchem.aid:540271 |
| Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS | 79.4328 uM | pubchem.aid:504845 |
| Nrf2 qHTS screen for inhibitors | 0.0065 uM | pubchem.aid:504444 |
| Nrf2 qHTS screen for inhibitors: A549 ARE-Fluc Cytotoxicity Counterscreen for Hit Validation | 10.3225 uM | pubchem.aid:720523 |
| Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation | 6.5131 uM | pubchem.aid:720524 |
| Nrf2 qHTS screen for inhibitors: Purified Fluc Biochemical Counterscreen for Hit Validation | 13.4591 uM | pubchem.aid:720522 |
| Nrf2 qHTS screen for inhibitors: counterscreen for cytotoxicity | 0.0046 uM | pubchem.aid:504648 |
| Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Based System Using Plate Reader - 2134-01_Inhibitor_Dose_CherryPick_Activity | EC50 0.26 uM | pubchem.aid:624132 |
| Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Based System Using Plate Reader - 2134-01_Inhibitor_Dose_DryPowder_Activity_Set2 | EC50 0.26 uM | pubchem.aid:743417 |
| Shn3: Dual-Go Shn3RL cells Measured in Cell-Based System Using Plate Reader - 2134-02_Inhibitor_Dose_CherryPick_Activity | EC50 0.26 uM | pubchem.aid:624133 |
| Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | 39.8107 uM | PMID:35787375 |
| Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | 39.8107 uM | PMID:35787375 |
| qHTS Assay for Inhibitors of Hepatitis C Virus (HCV) | 7.0795 uM | pubchem.aid:651820 |
| qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS | 89.1251 uM | pubchem.aid:588453 |
| qHTS Assay for Inhibitors of the HIV-1 protein Vpr | 7.0795 uM | pubchem.aid:651644 |
| qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds | 0.6012 uM | pubchem.aid:720498 |
| qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). | 0.5623 uM | pubchem.aid:588795 |
| qHTS Assay to Find Inhibitors of Pin1 | 11.9955 uM | pubchem.aid:504891 |
| qHTS for Inhibitors of Glutaminase (GLS) | 11.2202 uM | pubchem.aid:624170 |
| qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds | 1.5101 uM | pubchem.aid:720502 |
| qHTS for Inhibitors of Polymerase Iota | 0.3162 uM | pubchem.aid:588590 |
| qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds | 1.5003 uM | pubchem.aid:720496 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0000339 | MIBIG | 5 |
This page is generated from data/natural_products/unclassified/echinomycin.yaml, which is generated from the committed inventories. Neither is edited by hand.