Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50336981
Substrate
n/a
Meas. Tech.
ChEMBL_719026 (CHEMBL1679088)
IC50
1000±n/a nM
Citation
 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A Discovery of LAS101057: A Potent, Selective, and Orally Efficacious A2B Adenosine Receptor Antagonist ACS Med Chem Lett 2:213-218 (2011) [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:
BDBM50336981
Synonyms:
CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropane carboxamide
Type:
Small organic molecule
Emp. Form.:
C18H13F2N5O
Mol. Mass.:
353.3255
SMILES:
Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 |(-1.07,4.1,;-2.52,3.57,;-3.7,4.56,;-5.15,4.04,;-5.41,2.52,;-4.23,1.53,;-4.76,.08,;-2.79,2.06,;-1.25,.77,;.08,1.54,;1.41,.77,;1.41,-.77,;2.75,-1.54,;4.08,-.77,;5.41,-1.54,;4.08,.77,;4.85,2.1,;3.31,2.1,;.08,-1.54,;-1.25,-.77,;-2.79,-2.06,;-4.23,-1.53,;-5.41,-2.52,;-5.15,-4.04,;-3.7,-4.56,;-2.52,-3.57,)|
Structure:
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