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Target
Cytochrome P450 2C19
Ligand
BDBM50192235
Substrate
n/a
Meas. Tech.
ChEMBL_1613493 (CHEMBL3855293)
IC50
>17000±n/a nM
Citation
 Micheli, F; Bacchi, A; Braggio, S; Castelletti, L; Cavallini, P; Cavanni, P; Cremonesi, S; Dal Cin, M; Feriani, A; Gehanne, S; Kajbaf, M; Marchió, L; Nola, S; Oliosi, B; Pellacani, A; Perdoną, E; Sava, A; Semeraro, T; Tarsi, L; Tomelleri, S; Wong, A; Visentini, F; Zonzini, L; Heidbreder, C 1,2,4-Triazolyl 5-Azaspiro[2.4]heptanes: Lead Identification and Early Lead Optimization of a New Series of Potent and Selective Dopamine D3 Receptor Antagonists. J Med Chem 59:8549-76 (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:
BDBM50192235
Synonyms:
CHEMBL3913607 | US10239870, Example 10
Type:
Small organic molecule
Emp. Form.:
C23H26F3N5OS
Mol. Mass.:
477.546
SMILES:
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Structure:
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