Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50502393
Substrate
n/a
Meas. Tech.
ChEMBL_2123876 (CHEMBL4833109)
IC50
>30000±n/a nM
Citation
 Narjes, F; Llinas, A; von Berg, S; Jirholt, J; Lever, S; Pehrson, R; Collins, M; Malmberg, A; Svanberg, P; Xue, Y; Olsson, RI; Malmberg, J; Hughes, G; Hossain, N; Grindebacke, H; Leffler, A; Krutrök, N; Bäck, E; Ramnegård, M; Lepistö, M; Thunberg, L; Aagaard, A; McPheat, J; Hansson, EL; Chen, R; Xiong, Y; Hansson, TG AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J Med Chem 64:13807-13829 (2021) [PubMed]  Article 
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:
BDBM50502393
Synonyms:
CHEMBL4562895
Type:
Small organic molecule
Emp. Form.:
C21H20F6N2O5S
Mol. Mass.:
526.449
SMILES:
CCS(=O)(=O)c1ccc(cc1)[C@@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: