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Target
Cytochrome P450 2C9
Ligand
BDBM198660
Substrate
n/a
Meas. Tech.
Inhibition of Cytochrome P450 Enzyme
IC50
145000±n/a nM
Citation
 Hoekstra, WJ; Rafferty, SW; Yates, CM; Schotzinger, RJ; Loso, MR; Sullenberger, MT Metalloenzyme inhibitor compounds US Patent  US9556143 Publication Date 1/31/2017 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | 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:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM198660
Synonyms:
US9221791, 6 | US9556143, 6
Type:
Small organic molecule
Emp. Form.:
C20H16F7N5O2
Mol. Mass.:
491.3622
SMILES:
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(\C=C\COCC(F)(F)F)cn1
Structure:
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