Reaction Details  Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50371684
Substrate
n/a
Meas. Tech.
ChEMBL_463854 (CHEMBL934048)
IC50
42000±n/a nM
Citation
 Hernández, AS; Swartz, SG; Slusarchyk, D; Yan, M; Seethala, RK; Sleph, P; Grover, G; Dickinson, K; Giupponi, L; Harper, TW; Humphreys, WG; Longhi, DA; Flynn, N; Murphy, BJ; Gordon, DA; Biller, SA; Robl, JA; Tino, JA Optimization of 1H-tetrazole-1-alkanenitriles as potent orally bioavailable growth hormone secretagogues. Bioorg Med Chem Lett 18:2067-72 (2008) [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:
BDBM50371684
Synonyms:
CHEMBL270666
Type:
Small organic molecule
Emp. Form.:
C24H29N7O4
Mol. Mass.:
479.5316
SMILES:
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccc1O)CC#N
Structure:
Search PDB for entries with ligand similarity: