PDB ligand accession: IIE
DrugBank: DB07974
PubChem:
ChEMBL:
InChI Key: BDLMBQRBNPDCSS-UHFFFAOYSA-N
SMILES: CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2CC(=O)Nc4ccc(cc4)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indolecarboxylic acids and derivatives
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2BQW | Download | Experimental | e2bqwB1 | cradle loop barrel | LigPlot |