Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2D6
LigandBDBM50558170
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2062191 (CHEMBL4717444)
IC50 326±n/a nM
Citation Wilson, JEKurukulasuriya, RSinz, CLombardo, MBender, KParker, DSherer, ECCosta, MDingley, KLi, XMitelman, STong, SBugianesi, REhrhardt, APriest, BRatliff, KUjjainwalla, FNargund, RHagmann, WKEdmondson, S Discovery and development of benzo-[1,2,4]-triazolo-[1,4]-oxazepine GPR142 agonists for the treatment of diabetes. Bioorg Med Chem Lett26:2947-2951 (2016) [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:
BDBM50558170
n/a
NameBDBM50558170
Synonyms:CHEMBL4788072
TypeSmall organic molecule
Emp. Form.C23H18F3N5O
Mol. Mass.437.4171
SMILESCc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(c4)C(F)(F)F)nnc3-c2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: