PDB ligand accession: BKI
DrugBank: n/a
PubChem: 112499879;135566685;
ChEMBL: n/a
InChI Key: CPYVKWBLVMVKFH-UHFFFAOYSA-N
SMILES: c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrroles
- Subclass: Substituted pyrroles
- Class: Pyrroles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4D4J | Download | Experimental | e4d4jA1 e4d4jA2 | Phosphoglycerate mutase-like P-loop domains-like | LigPlot |