Reaction Details
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Cytochrome P450 2C19
Ligand
BDBM50559579
Substrate
n/a
Meas. Tech.
ChEMBL_2069796 (CHEMBL4725049)
IC50
19000±n/a nM
Citation
Lee, YH; Cha, HM; Hwang, JY; Park, SY; Vishakantegowda, AG; Imran, A; Lee, JY; Yi, YS; Jun, S; Kim, GH; Kang, HJ; Chung, SJ; Kim, M; Kim, H; Han, SB Sulfamoylbenzamide-based Capsid Assembly Modulators for Selective Inhibition of Hepatitis B Viral Replication. ACS Med Chem Lett 12:242-248 (2021) [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:
BDBM50559579
Synonyms:
CHEMBL4754334
Type:
Small organic molecule
Emp. Form.:
C19H19F4N3O4S
Mol. Mass.:
461.43
SMILES:
Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(c1)C(F)F)S(=O)(=O)N1CCC(O)CC1
Structure:
