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E-mail: biomed@csu.edu.cn
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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.
| Uniprot primary ID | P05177 |
| PDB ID | 2HI4 |
| DrugBank ID | DB00953 DB01418 DB00898 DB00773 DB00772 DB00678 DB04574 |
| BioGrid ID | 107924 |
| GuidetoPHARMACOLOGY ID | |
| PharmGKB ID | PA27093 |
| KEGG ID | hsa:1544 |
| DIP ID | |
| STRING ID | 9606.ENSP00000342007 |
| IntAct ID | |
| DMDM | 117144 |
| BRENDA | 1.14.14.1 1.14.99.38 |
| Reactome | R-HSA-2142670 R-HSA-5423646 R-HSA-211957 R-HSA-156581 R-HSA-2142816 |
| SignaLink | |
| BioCyc | MetaCyc:HS06728-MONOMER |
| Entrez Gene (Gene ID) | 1544 |
| BindingDB | P05177 |
| Fingerprint type | Sensitivity | SEN_std | Specificity | SPE_std | Accuracy | ACC_std | F1-score | F1-score_std | AUC | AUC_std | MCC | MCC_std | Download model |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| FP2 fingerprints | 0.786 | 0.007 | 0.734 | 0.009 | 0.760 | 0.007 | 0.767 | 0.005 | 0.847 | 0.005 | 0.520 | 0.011 | Download |
| Estate fingerprints | 0.679 | 0.006 | 0.701 | 0.005 | 0.690 | 0.005 | 0.688 | 0.004 | 0.779 | 0.003 | 0.380 | 0.005 | Download |
| MACCS fingerprints | 0.721 | 0.006 | 0.693 | 0.008 | 0.707 | 0.005 | 0.709 | 0.003 | 0.780 | 0.000 | 0.411 | 0.010 | Download |
| Daylight fingerprints | 0.579 | 0.003 | 0.753 | 0.000 | 0.666 | 0.005 | 0.634 | 0.005 | 0.699 | 0.003 | 0.336 | 0.005 | Download |
| ECFP2 fingerprints | 0.872 | 0.006 | 0.722 | 0.007 | 0.797 | 0.005 | 0.811 | 0.006 | 0.890 | 0.000 | 0.601 | 0.011 | Download |
| ECFP4 fingerprints | 0.853 | 0.007 | 0.789 | 0.005 | 0.821 | 0.006 | 0.828 | 0.004 | 0.907 | 0.005 | 0.641 | 0.010 | Download |
| ECFP6 fingerprints | 0.833 | 0.007 | 0.849 | 0.005 | 0.841 | 0.006 | 0.836 | 0.005 | 0.910 | 0.000 | 0.676 | 0.010 | Download |
| Positive dataset | Negative dataset |
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E-mail: biomed@csu.edu.cn
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