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TargetCytochrome P450 2D6
LigandBDBM50174952
Substrate/Competitorn/a
Meas. Tech.ChEMBL_325677 (CHEMBL863231)
IC50 9500±n/a nM
Citation Chu, GHGu, MCassel, JABelanger, SGraczyk, TMDeHaven, RNConway-James, NKoblish, MLittle, PJDeHaven-Hudkins, DLDolle, RE Potent and highly selective kappa opioid receptor agonists incorporating chroman- and 2,3-dihydrobenzofuran-based constraints. Bioorg Med Chem Lett15:5114-9 (2005) [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:
BDBM50174952
n/a
NameBDBM50174952
Synonyms:(S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-6-(propylsulfonamido)chroman-2-carboxamide | CHEMBL436101
TypeSmall organic molecule
Emp. Form.C26H35N3O5S
Mol. Mass.501.638
SMILESCCCS(=O)(=O)Nc1ccc2O[C@@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Structure
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