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Target
Cytochrome P450 2C19
Ligand
BDBM50156055
Substrate
n/a
Meas. Tech.
ChEMBL_807242 (CHEMBL1960172)
IC50
11000±n/a nM
Citation
 Dunn, D; Hostetler, G; Iqbal, M; Messina-McLaughlin, P; Reiboldt, A; Lin, YG; Gruner, J; Bacon, ER; Ator, MA; Chatterjee, S Wake-promoting agents: search for next generation modafinil: part I. Bioorg Med Chem Lett 22:2312-4 (2012) [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:
BDBM50156055
Synonyms:
2-(Diphenyl-methanesulfinyl)-acetamide | 2-(benzhydrylsulfinyl)acetamide | 2-[(diphenylmethyl)sulfinyl]acetamide | Ambrisentan | CEP-1538 | CHEMBL1373 | CRL-40476 | MODAFINIL | Provigil | US10913711, Compound (+-)-modafinilb | US11555013, Compound (+-)-modafinilb | US9862679, Compound (+-)-modafinil
Type:
Small organic molecule
Emp. Form.:
C15H15NO2S
Mol. Mass.:
273.35
SMILES:
NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Structure:
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