Therapeutic Targets Database
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TTD Target ID: TTDS00418

Target Information
NameCytochrome P450 3A4    
Type of targetSuccessful target    
SynonymsAlbendazole monooxygenase    
Albendazole sulfoxidase    
CYP3A3    
CYP3A4    
CYPIIIA3    
CYPIIIA4    
Cytochrome P450 3A3    
HLp    
NF-25    
Nifedipine oxidase    
P450-PCN1    
Quinine 3-monooxygenase    
Taurochenodeoxycholate 6-alpha-hydroxylase    
DiseaseHypothalamic-pituitary ACTH function[1]
Drug(s)ClotrimazoleApprovedFungal infections[2][3]
BioChemical ClassOxidoreductases acting on paired donors    
EC NumberEC 1.14.13.32
EC 1.14.13.67
EC 1.14.13.97
PathwayDrug metabolism - cytochrome P450
Drug metabolism - other enzymes
Linoleic acid metabolism
Metabolic pathways
Metabolism of xenobiotics by cytochrome P450
Retinol metabolism
gamma-Hexachlorocyclohexane degradation
UniProt IDP08684
PDB Structure1TQN; 1W0E; 1W0F; 1W0G; 2J0D; 2V0M.    
SequenceMALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG GLLQPEKPVVLKVESRDGTVSGA
Target ValidationClick to Find Target Validation Information.    
QSAR ModelClick to Find Target QSAR Model.    
Inhibitor (-)-clusin[4]
(-)-cubebin[4]
(-)-cubebinin[4]
(-)-cubebininolide[4]
(-)-dihydroclusin[4]
(-)-thujaplicatintrimethyl ether[4]
(-)-yatein[4]
(5-pyridin-3-yl-furan-2-yl)methanethiol[5]
(8R,8'R)-4-hydroxycubebinone[4]
(8R,8'R,9'S)-5-methoxyclusin[4]
1,1':4',1''-terphenyl-3,3''-diol[6]
1,2-Diacetoxylycorine[7]
1- (3,4-DICHLOROPHENYL)-6-[8]
1- (4-Butoxy-phenyl)-1H-imidazole[9]
1- (METHOXYMETHYL)-6-[8]
1-Acetoxy-2-tert-butyldimethylsilyl-oxylycorine[7]
1-Acetoxylycorine[7]
1H-1,2,3-benzotriazol-1-amine[10]
2,5-bis (4-hydroxybenzylidene)cyclopentanone[11]
2- (2-[12]
2- (4-Imidazol-1-yl-phenoxymethyl)-pyridine[9]
2-Fluoro-4-[5- (3-hydroxyphenyl)-2-thienyl]phenol[13]
2-[3- (4-Imidazol-1-yl-phenoxy)-propyl]-pyridine[9]
2-fluoro-5- (3-methylthiophen-2-yl)pyridine[5]
2-tert-Butyldimethylsilyloxylycorine[7]
3,3- (1,3-Thiazole-2,5-diyl)diphenol[6]
3- (3-methylthiophen-2-yl)pyridine[5]
3- (5-[5]
3- (5-[1,3]dithiolan-2-yl-furan-2-yl)pyridine[5]
3- (pyridin-3-yl)prop-2-yn-1-amine[5]
3-[3- (4-Imidazol-1-yl-phenoxy)-propyl]-pyridine[9]
3-[3- (4-Methoxybenzyl)naphthalen-2-yl]pyridine[14]
3-[5- (4-Hydroxyphenyl)-3-thienyl]phenol[6]
3-methoxy-5- (6-methoxynaphthalen-2-yl)pyridine[15]
4- (6-Methoxynaphthalen-2-yl)isoquinoline[15]
4-[2- (4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine[9]
4-[3- (4-Imidazol-1-yl-phenoxy)-propyl]-pyridine[9]
4-[5- (3-Hydroxyphenyl)-2-thienyl)-2-methyl]phenol[13]
4-[5- (3-Hydroxyphenyl)-3-thienyl]-2-methylphenol[13]
5- (2-phenethylpiperazin-1-yl)-1H-indazole[16]
5-Pyridin-3-yl-thiophene-2-carbaldehyde oxime[17]
6- (3,4-DICHLOROPHENYL)-1-[1-[8]
6- (3-hydroxyphenyl)-2-naphthol[18]
6-Pyridin-3-yl-3,4-dihydronaphthalen-2 (1H)-one[19]
Ac-Phe-[Orn-Pro-cha-Trp-Arg][20]
Alpha-Hydroxy-Midazolam[21]
BERGAPTOL[22]
BMS-536924[23]
BMS-540215[24]
CEP-18770[25]
CURCUMIN[11]
Clotrimazole[2][3]
DG-041[26]
DIETHOXYFLOURESCEIN[27]
DIHYDROCUBEBIN[4]
ETHOXYCLUSIN[4]
GSK-1070916[28]
GSK-8062[29]
Go-Y026[11]
HINOKININ[4]
Heme[30]
JATRORRHIZINE[31]
MEDIORESINOL[4]
ML-3163[32]
ML-3375[32]
ML-3403[32]
Methyl- (5-pyridin-3-yl-thiophen-2-yl)-amine[17]
PALMATINE[31]
SB-203580[33]
SK&F-96365,   SK-96365[34]
TILIROSIDE[35]
alpha-methylcubebin[4]
geranylcoumarin[22]
Cross References 3D Structure
Related Literature
On-Line Medical Dictionary
Ref 1DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6. Epub 2007 Nov 29. To Reference
Ref 2Oxidation of bilirubin in the brain-further characterization of a potentially protective mechanism. Mol Genet Metab. 1999 Nov;68(3):404-9. To Reference
Ref 3Effects of imidazole antimycotics on the liver microsomal cytochrome P450 isoforms in rats: comparison of in vitro and ex vivo studies. Eur J Drug Metab Pharmacokinet. 2000 Apr-Jun;25(2):121-6. To Reference
Ref 4J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba. To Reference
Ref 5J Med Chem. 2006 Nov 30;49(24):6987-7001.Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization. To Reference
Ref 6J Med Chem. 2008 Nov 13;51(21):6725-39. Epub 2008 Oct 15.Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). To Reference
Ref 7Bioorg Med Chem Lett. 2009 Jun 15;19(12):3233-7. Epub 2009 Apr 24.Selective cytochrome P450 3A4 inhibitory activity of Amaryllidaceae alkaloids. To Reference
Ref 8J Med Chem. 2010 Jul 8;53(13):4989-5001.6-(3,4-dichlorophenyl)-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane: a new potent and selective triple reuptake inhibitor. To Reference
Ref 9Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors. To Reference
Ref 10Bioorg Med Chem Lett. 2001 Dec 3;11(23):2993-5.Discovery of a N'-hydroxyphenylformamidine derivative HET0016 as a potent and selective 20-HETE synthase inhibitor. To Reference
Ref 11Eur J Med Chem. 2008 Aug;43(8):1621-31. Epub 2007 Nov 17.Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues. To Reference
Ref 12J Med Chem. 2010 May 13;53(9):3840-4.Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active histamine type 3 receptor agonist and evaluation of its antistress activity in mice. To Reference
Ref 13J Med Chem. 2009 Nov 12;52(21):6724-43.New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitory activity and selectivity. To Reference
Ref 14J Med Chem. 2008 Oct 9;51(19):6138-49. Epub 2008 Sep 3.Novel aldosterone synthase inhibitors with extended carbocyclic skeleton by a combined ligand-based and structure-based drug design approach. To Reference
Ref 15J Med Chem. 2008 Aug 28;51(16):5064-74. Epub 2008 Aug 1.Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization on potency and selectivity. To Reference
Ref 16Bioorg. Med. Chem. Lett. 20(13):3941-3945 (2010) To Reference
Ref 17J Med Chem. 2005 Jan 13;48(1):224-39.5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6. To Reference
Ref 18J Med Chem. 2008 Apr 10;51(7):2158-69. Epub 2008 Mar 7.Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases. To Reference
Ref 19J Med Chem. 2008 Dec 25;51(24):8077-87.In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-1H-quinolin-2-one derivatives. To Reference
Ref 20Bioorg Med Chem Lett. 2006 Oct 1;16(19):5088-92. Epub 2006 Jul 28.Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivo activity. To Reference
Ref 21Bioorg Med Chem Lett. 2003 Nov 3;13(21):3643-5.Design and synthesis of a new fluorescent probe for cytochrome P450 3A4 (CYP 3A4). To Reference
Ref 22Bioorg Med Chem. 2007 Jun 1;15(11):3684-91. Epub 2007 Mar 18.Radical scavenging and cytochrome P450 3A4 inhibitory activity of bergaptol and geranylcoumarin from grapefruit. To Reference
Ref 23J Med Chem. 2008 Oct 9;51(19):5897-900. Epub 2008 Sep 3.Discovery and evaluation of 4-(2-(4-chloro-1H-pyrazol-1-yl)ethylamino)-3-(6-(1-(3-fluoropropyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one (BMS-695735), an orally efficacious inhibitor of insulin-like growth factor-1 receptor kinase with broad spectrum in vivo antitumor activity. To Reference
Ref 24J Med Chem. 2008 Mar 27;51(6):1976-80. Epub 2008 Feb 21.Discovery of brivanib alaninate ((S)-((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-yl)2-aminopropanoate), a novel prodrug of dual vascular endothelial growth factor receptor-2 and fibroblast growth factor receptor-1 kinase inhibitor (BMS-540215). To Reference
Ref 25J Med Chem. 2008 Feb 28;51(4):1068-72. Epub 2008 Feb 5.Discovery of a potent, selective, and orally active proteasome inhibitor for the treatment of cancer. To Reference
Ref 26J Med Chem. 2010 Jan 14;53(1):18-36.Structure-activity relationship studies leading to the identification of (2E)-3-[l-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methyl-lH-indol-7-yl]-N-[(4,5-dichloro-2-thienyl)sulfonyl]-2-propenamide (DG-041), a potent and selective prostanoid EP3 receptor antagonist, as a novel antiplatelet agent that does not prolong bleeding. To Reference
Ref 27J Med Chem. 2010 Oct 14;53(19):7129-39.Exploration of the amine terminus in a novel series of 1,2,4-triazolo-3-yl-azabicyclo[3.1.0]hexanes as selective dopamine D3 receptor antagonists. To Reference
Ref 28J Med Chem. 2010 May 27;53(10):3973-4001.Discovery of GSK1070916, a potent and selective inhibitor of Aurora B/C kinase. To Reference
Ref 29Bioorg Med Chem Lett. 2008 Aug 1;18(15):4339-43. Epub 2008 Jun 28.Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. To Reference
Ref 30Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. To Reference
Ref 31J Nat Prod. 2007 Dec;70(12):1930-3. Epub 2007 Nov 10.Cytochrome P3A4 inhibitors and other constituents of Fibraurea tinctoria. To Reference
Ref 32J Med Chem. 2003 Jul 17;46(15):3230-44.Novel substituted pyridinyl imidazoles as potent anticytokine agents with low activity against hepatic cytochrome P450 enzymes. To Reference
Ref 33J Med Chem. 2004 Dec 2;47(25):6311-25.Tetrasubstituted imidazole inhibitors of cytokine release: probing substituents in the N-1 position. To Reference
Ref 34J Med Chem. 2008 Mar 27;51(6):1755-63. Epub 2008 Mar 1.Characterization of type II ligands in CYP2C9 and CYP3A4. To Reference
Ref 35J Nat Prod. 2004 Nov;67(11):1839-41.Isolation of cytochrome P450 inhibitors from strawberry fruit, Fragaria ananassa. To Reference



 

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Professor in Department of Pharmacy
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