PDB ligand accession: R75
DrugBank: DB12319
InChI Key: WHQCHUCQKNIQEC-UHFFFAOYSA-N
SMILES: CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbonyl compounds
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P33261 | Download | Predicted | P33261_F1_nD1 | Cytochrome P450 |
4GQS | Predicted | e4gqsA1 e4gqsD1 e4gqsB1 e4gqsC1 |