PDB ligand accession: C8C
DrugBank: DB07535
PubChem: 11651760;135424789;
ChEMBL:
InChI Key: VRAZIAJSKFRSIP-UHFFFAOYSA-N
SMILES: c1cc(cc2c1cc[nH]2)CCC3=CC(=O)NC(=N3)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2VA5 | Download | Experimental | e2va5A2 e2va5A3 | cradle loop barrel cradle loop barrel | LigPlot |