Target name

P08684: Cytochrome P450 3A4


  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 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).

  Database links

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

  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 0.715 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

  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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