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TargetCytochrome P450 2D6
LigandBDBM50329618
Substrate/Competitorn/a
Meas. Tech.ChEMBL_675469 (CHEMBL1273606)
IC50>30000±n/a nM
Citation Xia, YChackalamannil, SGreenlee, WJWang, YHu, ZRoot, YWong, JKong, JAhn, HSBoykow, GHsieh, YKurowski, SChintala, M Discovery of a vorapaxar analog with increased aqueous solubility. Bioorg Med Chem Lett20:6676-9 (2010) [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:
BDBM50329618
n/a
NameBDBM50329618
Synonyms:CHEMBL1270738 | ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(2,3'-bipyridin-6'-yl)vinyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-ylcarbamate
TypeSmall organic molecule
Emp. Form.C28H33N3O4
Mol. Mass.475.5793
SMILESCCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2ccccn2)C1 |r,w:21.23|
Structure
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