Detail Information
P450 Protein:
| P450 Symbol | CYP2C9 |
| Protein Name | Cytochrome P450 2C9 |
| Uniprot ID | P11712 |
| EC Number | 1.14.14.1; 1.14.14.51; 1.14.14.52; 1.14.14.53 |
| Gene ID | 1559 |
| Species | Homo sapiens |
| Txid | 9606 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C14H11Cl2NO2 → C14H11Cl2NO3 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Transformations | 1. Hydroxylation of Aromatic Compounds2.Hydroxylation at an Aromatic Carbon |
CYP2C9
Substrate Information:
| Substrate Name | Diclofenac |
| Substrate Chemical Formula | C14H11Cl2NO2 |
| Substrate PubChem CID | 3033 |
| Substrate Smiles | C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl |
| Substrate Structure |
Product Information:
| Product Name | 5-Hydroxydiclofenac |
| Product Chemical Formula | C14H11Cl2NO3 |
| Product PubChem CID | 3052566 |
| Product CAS Number | 69002-84-2 |
| Product Smiles | C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CC(=O)O)Cl |
| Product Structure |
References:
| Title: | Hydroxylation of diclofenac: an illustration of the complementary roles of biomimetic metalloporphyrin catalysts and yeasts expressing human cytochromes P450 in drug metabolism studies |
| DOI: | https://doi.org/10.1016/S1387-1609(00)01177-4 |
| Journal: | Comptes Rendus de l'Academie des Sciences, Serie IIc: Chimie (2000) |
| Year: | 2000/7/27 |