PDB ligand accession: YSY
DrugBank: DB11837
PubChem:
ChEMBL:
InChI Key: USUZGMWDZDXMDG-CYBMUJFWSA-N
SMILES: c1cc(c(cc1C#N)F)C2CCc3n2cnc3
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzonitriles
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7M8V | Download | Experimental | e7m8vA1 e7m8vB1 e7m8vC1 e7m8vD1 e7m8vE1 e7m8vF1 e7m8vG1 e7m8vH1 e7m8vI1 e7m8vJ1 e7m8vK1 e7m8vL1 | Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 | LigPlot |