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TargetCytochrome P450 2C9
LigandBDBM50329313
Substrate/Competitorn/a
Meas. Tech.ChEMBL_675408
IC50 8000±n/a nM
Citation Tice, CMZhao, WKrosky, PMKruk, BABerbaum, JJohnson, JABukhtiyarov, YPanemangalore, RScott, BBZhao, YBruno, JGHoward, LTogias, JYe, YJSingh, SBMcKeever, BMLindblom, PRGuo, JGuo, RNar, HSchuler-Metz, AGregg, RELeftheris, KHarrison, RKMcGeehan, GMZhuang, LClaremon, DA Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1. Bioorg Med Chem Lett20:6725-9 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C9
Name:Cytochrome P450 2C9
Synonyms:(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CYPIIC9 | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:Enzyme
Mol. Mass.:55636.33
Organism:Homo sapiens (Human)
Description:P11712
Residue:490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50329313
NameBDBM50329313
Synonyms:(S)-3-(3-Trifluoromethyl-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester | CHEMBL1271428
TypeSmall organic molecule
Emp. Form.C22H27F3N4O3
Mol. Mass.452.47
SMILESNC(=O)[C@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ncccc1C(F)(F)F)C(C3)C2 |r,wD:16.19,3.2,9.10,TLB:30:29:4.5.6:8,THB:30:5:8:31.29.9,9:29:4:6.7.8,9:7:4:31.30.29,10:9:4.5.6:8,(23.92,-31.27,;25.27,-30.5,;25.27,-28.96,;26.61,-31.27,;25.41,-32.55,;26.91,-32.13,;26.91,-30.55,;27.95,-29.31,;26.6,-29.79,;29.34,-29.89,;30.68,-29.13,;32.01,-29.91,;32,-31.45,;33.35,-29.16,;33.38,-27.61,;34.85,-27.16,;35.74,-28.42,;34.81,-29.65,;37.28,-28.44,;38.07,-27.12,;37.32,-25.79,;38.1,-24.47,;39.65,-24.49,;40.4,-25.84,;39.61,-27.16,;40.35,-28.5,;39.56,-29.82,;41.89,-28.53,;41.11,-29.83,;29.33,-31.42,;28.32,-32.7,;27.94,-31.76,)|
Structure
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