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Target
Cytochrome P450 2C9
Ligand
BDBM276748
Substrate
n/a
Meas. Tech.
ChEMBL_2187636 (CHEMBL5099718)
IC50
7800±n/a nM
Citation
 Futatsugi, K; Cabral, S; Kung, DW; Huard, K; Lee, E; Boehm, M; Bauman, J; Clark, RW; Coffey, SB; Crowley, C; Dechert-Schmitt, AM; Dowling, MS; Dullea, R; Gosset, JR; Kalgutkar, AS; Kou, K; Li, Q; Lian, Y; Loria, PM; Londregan, AT; Niosi, M; Orozco, C; Pettersen, JC; Pfefferkorn, JA; Polivkova, J; Ross, TT; Sharma, R; Stock, IA; Tesz, G; Wisniewska, H; Goodwin, B; Price, DA Discovery of Ervogastat (PF-06865571): A Potent and Selective Inhibitor of Diacylglycerol Acyltransferase 2 for the Treatment of Non-alcoholic Steatohepatitis. J Med Chem 65:15000-15013 (2022) [PubMed] 
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:
BDBM276748
Synonyms:
US10071992, Example 3.5 | US10071992, Example 5 | US11034678, Example 5
Type:
Small organic molecule
Emp. Form.:
C21H23N5O4
Mol. Mass.:
409.4384
SMILES:
CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO
Structure:
Search PDB for entries with ligand similarity: