Detail Information
P450 Protein:
| P450 Symbol | CYP3A4 |
| Protein Name | Cytochrome P450 3A4 |
| Uniprot ID | P08684 |
| EC Number | 1.14.14.1; 1.14.14.55; 1.14.14.56; 1.14.14.73 |
| Gene ID | 1576 |
| Species | Homo sapiens (Human) |
| Txid | 9606 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Endoplasmic reticulum membrane; Single-pass membrane protein Microsome membrane; Single-pass membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C15H13N3O2S + C17H21N4O9P-2 + O2 → C15H13N3O3S + FMN + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | Sulfur |
| RheaID | 55928 |
+
+
CYP3A4
+
+
+
Substrate Information:
| Substrate Name | Fenbendazole |
| Substrate Chemical Formula | C15H13N3O2S |
| Substrate PubChem CID | 3334 |
| Substrate Smiles | COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3 |
| Substrate Structure |
| Substrate Name | FMNH2 |
| Substrate Chemical Formula | C17H21N4O9P-2 |
| Substrate PubChem CID | 44229161 |
| Substrate Smiles | CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O |
| Substrate Structure |
| Substrate Name | O2 |
| Substrate Chemical Formula | O2 |
| Substrate PubChem CID | 977 |
| Substrate CAS Number | 7782-44-7 |
| Substrate Smiles | O=O |
| Substrate Structure |
Product Information:
| Product Name | Fenbendazole S-Oxide |
| Product Chemical Formula | C15H13N3O3S |
| Product PubChem CID | 40854 |
| Product Smiles | COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3 |
| Product Structure |
| Product Name | FMN |
| Product PubChem CID | 44229199 |
| Product Smiles | CC1=CC2=C(C=C1C)N(C3=NC(=NC(=O)C3=N2)[O-])C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O |
| Product Structure |
| Product Name | H2O |
| Product Chemical Formula | H2O |
| Product PubChem CID | 962 |
| Product CAS Number | 7732-18-5 |
| Product Smiles | O |
| Product Structure |
| Product Name | H+ |
| Product Chemical Formula | H+ |
| Product PubChem CID | 1038 |
| Product CAS Number | 12408-02-5 |
| Product Smiles | [H+] |
| Product Structure |
References:
| Title: | Relative contribution of cytochromes P-450 and flavin-containing monoxygenases to the metabolism of albendazole by human liver microsomes. |
| PMID: | 10759686 |
| Journal: | British journal of clinical pharmacology |
| Year: | 2000/4/1 |