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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 performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide (PubMed:11159812). Catalyzes 4-beta-hydroxylation of cholesterol. May catalyze 25-hydroxylation of cholesterol in vitro (PubMed:21576599).
| Uniprot primary ID | P08684 |
| PDB ID | 3NXU 3TJS 2V0M 4I4G 4K9T 4K9U 4K9V 4K9W 4K9X 2J0D 4I4H 4D7D 4D78 1TQN 4D75 5A1P 5A1R 3UA1 4D6Z 4I3Q 1W0E 1W0F 1W0G 4NY4 |
| DrugBank ID | DB01418 DB00951 DB01098 DB00776 DB01411 DB01410 DB06414 |
| BioGrid ID | 107948 |
| GuidetoPHARMACOLOGY ID | 1337 |
| PharmGKB ID | PA130 |
| KEGG ID | hsa:1576 |
| DIP ID | |
| STRING ID | 9606.ENSP00000337915 |
| IntAct ID | P08684 |
| DMDM | 116241312 |
| BRENDA | 1.14.13.67 1.14.99.38 |
| Reactome | R-HSA-5423646 R-HSA-211981 |
| SignaLink | |
| BioCyc | MetaCyc:HS08544-MONOMER |
| Entrez Gene (Gene ID) | 1576 |
| BindingDB | P08684 |
| 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 | 0.715 | 0.005 | 0.739 | 0.004 | 0.727 | 0.005 | 0.721 | 0.003 | 0.785 | 0.005 | 0.451 | 0.006 | Download |
| Estate fingerprints | 0.716 | 0.005 | 0.584 | 0.004 | 0.650 | 0.000 | 0.671 | 0.003 | 0.700 | 0.000 | 0.302 | 0.006 | Download |
| MACCS fingerprints | 0.719 | 0.003 | 0.575 | 0.006 | 0.647 | 0.005 | 0.670 | 0.000 | 0.710 | 0.000 | 0.296 | 0.005 | Download |
| Daylight fingerprints | 0.664 | 0.005 | 0.576 | 0.005 | 0.620 | 0.000 | 0.638 | 0.004 | 0.650 | 0.000 | 0.240 | 0.000 | Download |
| ECFP2 fingerprints | 0.768 | 0.004 | 0.780 | 0.004 | 0.774 | 0.005 | 0.773 | 0.005 | 0.860 | 0.000 | 0.549 | 0.007 | Download |
| ECFP4 fingerprints | 0.750 | 0.007 | 0.878 | 0.005 | 0.814 | 0.005 | 0.802 | 0.006 | 0.890 | 0.000 | 0.632 | 0.010 | Download |
| ECFP6 fingerprints | 0.716 | 0.005 | 0.884 | 0.003 | 0.800 | 0.000 | 0.781 | 0.003 | 0.873 | 0.005 | 0.615 | 0.005 | Download |
| Positive dataset | Negative dataset |
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E-mail: biomed@csu.edu.cn
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