TargetNet
P05177
Cytochrome P450 1A2
Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Most active in catalyzing 2-hydroxylation. Caffeine is metabolized primarily by cytochrome CYP1A2 in the liver through an initial N3-demethylation. Also acts in the metabolism of aflatoxin B1 and acetaminophen. Participates in the bioactivation of carcinogenic aromatic and heterocyclic amines. Catalizes the N-hydroxylation of heterocyclic amines and the O- deethylation of phenacetin.
Database Links
| Database | Links |
|---|---|
| UniProt | P05177 |
| PDB | 2HI4 |
| BioGrid | 107924 |
| BindingDB | P05177 |
| DrugBank | DB01418, DB00316, DB00787, DB00969, DB01424, DB00321, DB00261, DB00972, DB00188, DB00201, DB00262, DB00475, DB00477, DB00356, DB00501, DB01012, DB00537, DB01242, DB00257, DB00363, DB00286, DB00924, DB00851, DB00967, DB00829, DB00527, DB00586, DB00476, DB00467, DB00736, DB00783, DB00655, DB00544, DB00499, DB00176, DB00998, DB00365, DB00502, DB01094, DB00458, DB01026, DB01097, DB01002, DB01137, DB00281, DB00978, DB01065, DB00532, DB00379, DB00370, DB01059, DB00540, DB01165, DB00334, DB00904, DB00377, DB00213, DB00487, DB01100, DB01182, DB00571, DB00908, DB00980, DB00863, DB01367, DB01045, DB00740, DB00533, DB00268, DB00296, DB00382, DB00976, DB00342, DB00277, DB00730, DB00697, DB01124, DB00661, DB00682, DB00744, DB00315 |
| Guide to PHARMACOLOGY | Not available |
| PharmGKB | PA27093 |
| KEGG | hsa:1544 |
| BioCyc | MetaCyc:HS06728-MONOMER |
| Entrez Gene (GeneID) | 1544 |
Chemical Space of the Positive Compounds
Model Performance Metrics
| Metric | Mean Value | Standard Deviation |
|---|---|---|
| AUC | 0.8367 | 0.0065 |
| Accuracy | 0.7672 | 0.0075 |
| Sensitivity | 0.7283 | 0.0116 |
| Specificity | 0.8029 | 0.0145 |
| BEDROC | 0.9157 | 0.0148 |
| MCC Threshold | 0.458 | N/A |
| MCC | 0.5548 | N/A |
| F-score Threshold | 0.458 | N/A |
| F-score | 0.7714 | N/A |