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Target
Cytochrome P450 2C19
Ligand
BDBM50458749
Substrate
n/a
Meas. Tech.
ChEMBL_1764607 (CHEMBL4199854)
IC50
>10000±n/a nM
Citation
 Shen, S; He, X; Yang, Z; Zhang, L; Liu, Y; Zhang, Z; Wang, W; Liu, W; Li, Y; Huang, D; Sun, K; Ni, X; Yang, X; Chu, X; Cui, Y; Lv, Q; Lan, J; Zhou, F Discovery of an Orally Bioavailable Dual PI3K/mTOR Inhibitor Based on Sulfonyl-Substituted Morpholinopyrimidines. ACS Med Chem Lett 9:719-724 (2018) [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:
BDBM50458749
Synonyms:
CHEMBL4211915
Type:
Small organic molecule
Emp. Form.:
C18H22FN5O3S
Mol. Mass.:
407.462
SMILES:
C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r|
Structure:
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