Target name

P05177: Cytochrome P450 1A2


  Protein 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

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

  Model Performance Metrics

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

  Download datasets

Positive dataset Negative dataset


Copyright @ 2012-2014 Computational Biology & Drug Design Group,
School of Pharmaceutical Sciences, Central South University. All rights reserved.

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