Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM208271
Substrate
n/a
Meas. Tech.
ChEMBL_1803977 (CHEMBL4276269)
IC50
>10000±n/a nM
Citation
 Zhang, YM; Greco, MN; Macielag, MJ; Teleha, CA; DesJarlais, RL; Tang, Y; Ho, G; Hou, C; Chen, C; Zhao, S; Kauffman, J; Camacho, R; Qi, J; Murray, W; Demarest, K; Leonard, J 6-Benzhydryl-4-amino-quinolin-2-ones as Potent Cannabinoid Type 1 (CB J Med Chem 61:10276-10298 (2018) [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:
BDBM208271
Synonyms:
US9266835, 44
Type:
Small organic molecule
Emp. Form.:
C28H24Cl2F3N3O3S
Mol. Mass.:
610.475
SMILES:
FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: