Detail Information
P450 Protein:
| P450 Symbol | CYP3A4 |
| Protein Name | Cytochrome P450 3A43 |
| Uniprot ID | Q9HB55 |
| EC Number | 1.14.14.1 |
| 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 | C26H23N2O+ → C19H17N2O+ |
| Reaction Type | Oxidation |
| Chemical Bond | C-O |
CYP3A4
Substrate Information:
| Substrate Name | 2-benzyl-7-(benzyloxy)-1-methyl-9H-indolo[2,3-c]pyridin-2-ium |
| Substrate Chemical Formula | C26H23N2O+ |
| Substrate PubChem CID | 44633590 |
| Substrate Smiles | [N+]1(C=CC2C3C=CC(=CC=3NC=2C=1C)OCC1C=CC=CC=1)CC1C=CC=CC=1 |
| Substrate Structure |
Product Information:
| Product Name | 2-benzyl-7-hydroxy-1-methyl-9H-indolo[2,3-c]pyridin-2-ium |
| Product Chemical Formula | C19H17N2O+ |
| Product PubChem CID | 44633592 |
| Product Smiles | OC1C=CC2C3C=C[N+](CC4C=CC=CC=4)=C(C=3NC=2C=1)C |
| Product Structure |
References:
| Title: | Beta-Carbolin-Derivates as Substrates for an Enzyme |
| Patent ID: | WO2010015636 |
| Journal: | |
| Year: | 2010/2/11 |