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Target
Cytochrome P450 2C19
Ligand
BDBM151585
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
19000±n/a nM
Citation
 Hoekstra, WJ; Schotzinger, RJ; Rafferty, SW Metalloenzyme inhibitor compounds US Patent  US8987315 Publication Date 3/24/2015 
Target
Name:
Cytochrome P450 2C19
Synonyms:
(S)-limonene 6-monooxygenase | Cytochrome P450-11A | P450-254C | Mephenytoin 4-hydroxylase | (S)-limonene 7-monooxygenase | Cytochrome P450 2C19 (CYP2C19) | CYP2C19 | CYPIIC17 | (R)-limonene 6-monooxygenase | CYPIIC19 | Fenbendazole monooxygenase (4'-hydroxylating) | CP2CJ_HUMAN | Cytochrome P450 2C19 [I331V] | Cytochrome P450-254C | P450-11A
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Human
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM151585
Synonyms:
US8987315, Ketoconazole | US9180183, Ketoconazole | US9271963, Ketoconazole | US9394290, KTZ (ketoconazole) | US9963439, Ketoconazole | US11739089, Compound Ketoconazole
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
Structure:
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