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Target
Cytochrome P450 2C19
Ligand
BDBM50359741
Substrate
n/a
Meas. Tech.
ChEMBL_791532 (CHEMBL1930585)
IC50
2300±n/a nM
Citation
 Tani, N; Rahnasto-Rilla, M; Wittekindt, C; Salminen, KA; Ritvanen, A; Ollakka, R; Koskiranta, J; Raunio, H; Juvonen, RO Antifungal activities of novel non-azole molecules against S. cerevisiae and C. albicans. Eur J Med Chem 47:270-7 (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:
BDBM50359741
Synonyms:
CHEMBL1928095
Type:
Small organic molecule
Emp. Form.:
C27H22N2O2S
Mol. Mass.:
438.541
SMILES:
COc1ccc(cc1OC)-c1sc(\N=C\c2ccc(cc2)-c2ccccc2)c(C#N)c1C
Structure:
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