PDB ligand accession: BI1
DrugBank: DB03777
PubChem:
ChEMBL:
InChI Key: QMGUOJYZJKLOLH-UHFFFAOYSA-N
SMILES: CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: N-alkylindoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P41743_BI1 | P41743 | n/a | IC50(nM) = 3463.0 |
2 | O15530_BI1 | O15530 | n/a | IC50(nM) = 9000.0 |
3 | P11309_BI1 | P11309 | n/a | IC50(nM) = 27.0 Kd(nM) = 10.0 |