Reaction Details
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Cytochrome P450 2C19
Ligand
BDBM50150052
Substrate
n/a
Meas. Tech.
ChEMBL_1556411 (CHEMBL3772285)
IC50
2930±n/a nM
Citation
Llona-Minguez, S; Höglund, A; Jacques, SA; Johansson, L; Calderón-Montaño, JM; Claesson, M; Loseva, O; Valerie, NC; Lundbäck, T; Piedrafita, J; Maga, G; Crespan, E; Meijer, L; Burgos Morón, E; Baranczewski, P; Hagbjörk, AL; Svensson, R; Wiita, E; Almlöf, I; Visnes, T; Jeppsson, F; Sigmundsson, K; Jensen, AJ; Artursson, P; Jemth, AS; Stenmark, P; Warpman Berglund, U; Scobie, M; Helleday, T Discovery of the First Potent and Selective Inhibitors of Human dCTP Pyrophosphatase 1. J Med Chem 59:1140-8 (2016) [PubMed] Article More Info.:
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:
BDBM50150052
Synonyms:
CHEMBL3771105
Type:
Small organic molecule
Emp. Form.:
C20H17BCl2N4O6
Mol. Mass.:
491.089
SMILES:
CN1CC(=O)OB(OC(=O)C1)c1ccc(Cn2c(C)nc3c(c(Cl)c(Cl)cc23)[N+]([O-])=O)cc1
Structure:
