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Target
Cytochrome P450 2C9
Ligand
BDBM50177015
Substrate
n/a
Meas. Tech.
ChEMBL_1582653 (CHEMBL3817094)
IC50
610±n/a nM
Citation
 Zheng, Y; Zhuang, L; Fan, KY; Tice, CM; Zhao, W; Dong, C; Lotesta, SD; Leftheris, K; Lindblom, PR; Liu, Z; Shimada, J; Noto, PB; Meng, S; Hardy, A; Howard, L; Krosky, P; Guo, J; Lipinski, K; Kandpal, G; Bukhtiyarov, Y; Zhao, Y; Lala, D; Van Orden, R; Zhou, J; Chen, G; Wu, Z; McKeever, BM; McGeehan, GM; Gregg, RE; Claremon, DA; Singh, SB Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR)ß Agonist. J Med Chem 59:3264-71 (2016) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50177015
Synonyms:
CHEMBL3814206 | US10144715, Compound 19-1
Type:
Small organic molecule
Emp. Form.:
C21H27F3N4O4S
Mol. Mass.:
488.524
SMILES:
CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
Structure:
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