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Target
Cytochrome P450 2C19
Ligand
BDBM50534425
Substrate
n/a
Meas. Tech.
ChEMBL_1928944 (CHEMBL4432120)
IC50
>30000±n/a nM
Citation
 Qiu, Z; Lin, X; Zhou, M; Liu, Y; Zhu, W; Chen, W; Zhang, W; Guo, L; Liu, H; Wu, G; Huang, M; Jiang, M; Xu, Z; Zhou, Z; Qin, N; Ren, S; Qiu, H; Zhong, S; Zhang, Y; Zhang, Y; Wu, X; Shi, L; Shen, F; Mao, Y; Zhou, X; Yang, W; Wu, JZ; Yang, G; Mayweg, AV; Shen, HC; Tang, G Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors. J Med Chem 59:7651-66 (2016) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C19
Synonyms:
CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50534425
Synonyms:
CHEMBL4541225
Type:
Small organic molecule
Emp. Form.:
C22H21F3N4O4S
Mol. Mass.:
494.487
SMILES:
COC(=O)C1=C(CN2CC(F)(F)C[C@H]2C(O)=O)NC(=N[C@@]1(C)c1ccc(F)cc1)c1nccs1 |r,c:4,19|
Structure:
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