Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2D6
LigandBDBM50414955
Substrate/Competitorn/a
Meas. Tech.ChEMBL_593410 (CHEMBL1040538)
IC50>10000±n/a nM
Citation Evans, KABudzik, BWRoss, SAWisnoski, DDJin, JRivero, RAVimal, MSzewczyk, GRJayawickreme, CMoncol, DLRimele, TJArmour, SLWeaver, SPGriffin, RJTadepalli, SMJeune, MRShearer, TWChen, ZBChen, LAnderson, DLBecherer, JDDe Los Frailes, MColilla, FJ Discovery of 3-aryl-4-isoxazolecarboxamides as TGR5 receptor agonists. J Med Chem52:7962-5 (2009) [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:
BDBM50414955
n/a
NameBDBM50414955
Synonyms:CHEMBL576138
TypeSmall organic molecule
Emp. Form.C19H16Cl2N2O2
Mol. Mass.375.249
SMILESCN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: