Reaction Details
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Cytochrome P450 2C19
Ligand
BDBM50537147
Substrate
n/a
Meas. Tech.
ChEMBL_1935820 (CHEMBL4481579)
IC50
>50000±n/a nM
Citation
Kotoku, M; Maeba, T; Fujioka, S; Yokota, M; Seki, N; Ito, K; Suwa, Y; Ikenogami, T; Hirata, K; Hase, Y; Katsuda, Y; Miyagawa, N; Arita, K; Asahina, K; Noguchi, M; Nomura, A; Doi, S; Adachi, T; Crowe, P; Tao, H; Thacher, S; Hashimoto, H; Suzuki, T; Shiozaki, M Discovery of Second Generation ROR? Inhibitors Composed of an Azole Scaffold. J Med Chem 62:2837-2842 (2019) [PubMed] Article More Info.:
Target
Name:
Cytochrome P450 2C19
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
Inhibitor
Name:
BDBM50537147
Synonyms:
CHEMBL4537625
Type:
Small organic molecule
Emp. Form.:
C26H28Cl2N3NaO5
Mol. Mass.:
556.413
SMILES:
[Na;v0+].[#6]C([#6])([#6])[#6]-c1cc(no1)-c1onc(-[#6@@H](-[#6]-[#6]-[#6](-[#8-])=O)-[#6]-[#6](=O)-[#7]-c2ccc(Cl)cc2Cl)c1-[#6]-1-[#6]-[#6]-1 |r|
Structure:
