Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2D6
LigandBDBM50336381
Substrate/Competitorn/a
Meas. Tech.ChEMBL_716790 (CHEMBL1670712)
IC50 36000±n/a nM
Citation Richter, HGBenson, GMBleicher, KHBlum, DChaput, EClemann, NFeng, SGardes, CGrether, UHartman, PKuhn, BMartin, REPlancher, JMRudolph, MGSchuler, FTaylor, S Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties. Bioorg Med Chem Lett21:1134-40 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2D6
Name:Cytochrome P450 2D6
Synonyms:CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:Protein
Mol. Mass.:55774.82
Organism:Homo sapiens (Human)
Description:P10635
Residue:497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50336381
n/a
NameBDBM50336381
Synonyms:(S)-4-(2-(2-(4-chlorophenyl)-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)-3-(trifluoromethyl)benzoic acid | CHEMBL1668259
TypeSmall organic molecule
Emp. Form.C29H25ClF3N3O3
Mol. Mass.555.975
SMILESOC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3ccccc23)-c2ccc(Cl)cc2)c(c1)C(F)(F)F |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: