Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50386200
Substrate
n/a
Meas. Tech.
ChEMBL_824341 (CHEMBL2044631)
IC50
216000±n/a nM
Citation
 Louvet, P; Schweizer, D; Gourdel, ME; Riguet, E; Yue, C; Marcy, VR; Lin, YG; Gruner, J; Lesur, B; Bacon, ER; Chatterjee, S Wake-promoting agents: search for next generation modafinil: part IV. Eur J Med Chem 54:949-51 (2012) [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:
BDBM50386200
Synonyms:
CHEMBL2043240
Type:
Small organic molecule
Emp. Form.:
C15H13Cl2NO3S
Mol. Mass.:
358.24
SMILES:
NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: