PDB ligand accession: 3JD
DrugBank: DB11793
PubChem:
ChEMBL:
InChI Key: PCHKPVIQAHNQLW-CQSZACIVSA-N
SMILES: c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)C4CCCNC4
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Phenylpiperidines
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4R6E | Download | Experimental | e4r6eA1 e4r6eA2 e4r6eB1 e4r6eB2 e4r6eC1 e4r6eC2 e4r6eD1 e4r6eD2 | ADP-ribosylation Domain of poly(ADP-ribose) polymerase ADP-ribosylation Domain of poly(ADP-ribose) polymerase Domain of poly(ADP-ribose) polymerase ADP-ribosylation Domain of poly(ADP-ribose) polymerase ADP-ribosylation | LigPlot |
7KK5 | Download | Experimental | e7kk5A1 e7kk5A2 e7kk5B1 e7kk5B2 e7kk5C1 e7kk5C2 e7kk5D1 e7kk5D2 | ADP-ribosylation Domain of poly(ADP-ribose) polymerase ADP-ribosylation Domain of poly(ADP-ribose) polymerase Domain of poly(ADP-ribose) polymerase ADP-ribosylation Domain of poly(ADP-ribose) polymerase ADP-ribosylation | LigPlot |