Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50293721
Substrate
n/a
Meas. Tech.
ChEMBL_788861 (CHEMBL1924931)
IC50
>30000±n/a nM
Citation
 Jones, CK; Engers, DW; Thompson, AD; Field, JR; Blobaum, AL; Lindsley, SR; Zhou, Y; Gogliotti, RD; Jadhav, S; Zamorano, R; Bogenpohl, J; Smith, Y; Morrison, R; Daniels, JS; Weaver, CD; Conn, PJ; Lindsley, CW; Niswender, CM; Hopkins, CR Discovery, synthesis, and structure-activity relationship development of a series of N-4-(2,5-dioxopyrrolidin-1-yl)phenylpicolinamides (VU0400195, ML182): characterization of a novel positive allosteric modulator of the metabotropic glutamate receptor 4 (mGlu(4)) with oral efficacy in an antiparkin J Med Chem 54:7639-47 (2011) [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:
Human
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50293721
Synonyms:
CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolinamide | cid_44191096
Type:
Small organic molecule
Emp. Form.:
C13H11ClN2O2
Mol. Mass.:
262.692
SMILES:
COc1cc(NC(=O)c2ccccn2)ccc1Cl
Structure:
Search PDB for entries with ligand similarity: