(-)-ditryptophenaline
naturalproductmech:mibig-543520f6e9 MINTED SEEDED enzyme inhibitor
Structure
| Standard InChIKey | IQIGYVQQRKFGLN-HSYVCWSSSA-N |
|---|---|
| SMILES | CN1[C@H](C(=O)N2[C@H](C1=O)C[C@@]3([C@H]2NC4=CC=CC=C43)[C@@]56C[C@H]7C(=O)N([C@H](C(=O)N7[C@@H]5NC8=CC=CC=C68)CC9=CC=CC=C9)C)CC1=CC=CC=C1 |
| Stereochemistry | fully defined |
| Cross-references | npatlas:NPA009630, pubchem:11445389 |
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 nrps, other, 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 |
|---|---|---|---|
| Aspergillus flavus NCBITaxon:5059 |
SOURCE_ASSERTION | mibig:BGC0002157 | PMID:24677498 |
Occurrences 4
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 |
|---|---|---|
| Aspergillus flavus NCBITaxon:5059 |
LOTUS | DOI:10.1007/S10600-009-9433-8 |
| Aspergillus flavus NCBITaxon:5059 |
LOTUS | DOI:10.1016/S0040-4039(01)83777-1 |
| Aspergillus flavus NCBITaxon:5059 |
LOTUS | DOI:10.1021/JO00074A031 |
| Aspergillus flavus NCBITaxon:5059 |
LOTUS | DOI:10.1021/NP50111A008 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0002157 | Aspergillus flavus NCBITaxon:5059 |
CLUSTER_UNSTATED | genbank:CP044618.1 |
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 16
| Assay | Result | Reference |
|---|---|---|
| A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. | 6.5131 uM | pubchem.aid:624297 |
| Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation | 11.6891 uM | pubchem.aid:504832 |
| Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation | 4.1475 uM | pubchem.aid:504834 |
| qHTS Assay for Inhibitors of Hepatitis C Virus (HCV) | 0.5623 uM | pubchem.aid:651820 |
| qHTS Assay for Inhibitors of JMJD2A-Tudor Domain | 50.1187 uM | pubchem.aid:504339 |
| qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1) | 0.2119 uM | pubchem.aid:2517 |
| qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent) | 28.1838 uM | pubchem.aid:485294 |
| qHTS Inhibitors of AmpC Beta-Lactamase (assay without detergent) | 11.2202 uM | pubchem.aid:485341 |
| qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy | 0.4467 uM | pubchem.aid:624291 |
| qHTS for Inhibitors of TGF-b | 35.4813 uM | pubchem.aid:588855 |
| qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT | 29.0929 uM | pubchem.aid:686978 |
| qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT | 16.3601 uM | pubchem.aid:686979 |
| qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primary qHTS | 5.0119 uM | pubchem.aid:720579 |
| qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1 | 25.1189 uM | pubchem.aid:504467 |
| Multiplex HTS Screen of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae_specifically_ LAP4_MLPCN. | ACTIVE | pubchem.aid:2023 |
| qHTS Assay for inhibitors of the human cytomegalovirus (HCMV) | ACTIVE | pubchem.aid:1259415 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0002157 | MIBIG | 2 |
This page is generated from data/natural_products/amino_acids_and_peptides/ditryptophenaline.yaml, which is generated from the committed inventories. Neither is edited by hand.