Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM234945
Substrate
n/a
Meas. Tech.
Inhibition of Liver Cytochrome P450 Enzymes
IC50
14000±n/a nM
Citation
 Hoekstra, WJ; Schotzinger, RJ; Rafferty, SW Metalloenzyme inhibitor compounds US Patent  US10221160 Publication Date 3/5/2019 
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:
BDBM234945
Synonyms:
US10221160, Voriconazole | US9556143, 31 | US9556143, Voriconazole
Type:
Small organic molecule
Emp. Form.:
C21H21F4N5O2
Mol. Mass.:
451.4174
SMILES:
CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Structure:
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