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TargetCytochrome P450 2C9
LigandBDBM50017298
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1362434
IC50<1000±n/a nM
Citation De Savi CCox RJWarner DJCook ARDickinson MRMcDonough AMorrill LCParker BAndrews GYoung SSGilmour PSRiley RDearman MS Efficacious inhaled PDE4 inhibitors with low emetic potential and long duration of action for the treatment of COPD. J Med Chem 57:4661-76 (2014) [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
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BDBM50017298
n/a
NameBDBM50017298
Synonyms:CHEMBL3288010
TypeSmall organic molecule
Emp. Form.C39H42FN7O3
Mol. Mass.675.7943
SMILESC[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc4ccccn4n3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,47.53,1.0,(29.15,-21.92,;30.48,-21.15,;30.48,-19.62,;31.81,-18.86,;31.8,-17.32,;30.47,-16.56,;29.13,-17.33,;27.8,-16.57,;27.79,-15.03,;29.12,-14.25,;30.45,-15.01,;26.45,-14.26,;25.12,-15.05,;23.78,-14.28,;23.78,-12.73,;25.11,-11.97,;25.11,-10.42,;23.77,-9.65,;22.44,-10.43,;21.09,-9.65,;21.09,-8.1,;19.76,-7.34,;22.43,-7.34,;23.77,-8.1,;25.1,-7.32,;25.1,-5.78,;26.44,-8.09,;27.77,-7.31,;29.11,-8.09,;30.44,-7.32,;30.45,-5.78,;29.11,-5,;27.77,-5.78,;31.79,-5,;33.12,-5.78,;33.12,-7.32,;34.36,-4.86,;34.34,-3.33,;35.79,-2.83,;36.4,-1.43,;37.92,-1.24,;38.84,-2.48,;38.23,-3.89,;36.71,-4.07,;35.83,-5.32,;26.45,-12.73,;33.14,-19.6,;33.14,-21.14,;34.48,-21.91,;31.82,-21.92,)|
Structure
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