Reaction Details | |||
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Target | Cytochrome P450 2C19 | ||
Ligand | BDBM50379595 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_811672 (CHEMBL2014185) | ||
IC50 | >40000±n/a nM | ||
Citation | Wu, L; Lu, K; Packiarajan, M; Jubian, V; Chandrasena, G; Wolinsky, TC; Walker, MW Indolyl and dihydroindolyl N-glycinamides as potent and in vivo active NPY5 antagonists. Bioorg Med Chem Lett22:2167-71 (2012) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cytochrome P450 2C19 | |||
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: |
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BDBM50379595 | |||
n/a | |||
Name | BDBM50379595 | ||
Synonyms: | CHEMBL2013012 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H30ClN3O3S | ||
Mol. Mass. | 427.989 | ||
SMILES | CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)| | ||
Structure |