Detail Information
P450 Protein:
| P450 Symbol | Cyp2b1 |
| Protein Name | Cytochrome P450 2B1 |
| Uniprot ID | P00176 |
| EC Number | 1.14.14.1 |
| Gene ID | 24300 |
| Species | Rattus norvegicus |
| Txid | 10116 |
| 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 | C12H13F3 → C12H11F3O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Methanol, Water |
| Conditions | 32 min, pH 7.4, 37°C |
| Transformations | 1. Hydroxylation at an Aliphatic Carbon2. Oxidation of Methyl/Methylene to Carbonyl |
Cyp2b1
Substrate Information:
| Substrate Name | rel-1-[(1R,2R)-2-Ethylcyclopropyl]-4-(trifluoromethyl)benzene |
| Substrate Chemical Formula | C12H13F3 |
| Substrate Smiles | FC(F)(F)C1=CC=C(C=C1)C2CC2CC |
| Substrate Structure |
Product Information:
| Product Name | rel-1-[(1R,2R)-2-[4-(Trifluoromethyl)phenyl]cyclopropyl]ethanone |
| Product Chemical Formula | C12H11F3O |
| Product CAS Number | 212515-28-1 |
| Product Smiles | O=C(C)C1CC1C2=CC=C(C=C2)C(F)(F)F |
| Product Structure |
References:
| Title: | Hypersensitive Mechanistic Probe Studies of Cytochrome P450-Catalyzed Hydroxylation Reactions. Implications for the Cationic Pathway |
| DOI: | https://doi.org/10.1021/ja981157i |
| Journal: | Journal of the American Chemical Society (1998) |
| Year: | 1998/7/24 |