Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50176366
Substrate
n/a
Meas. Tech.
ChEMBL_332935 (CHEMBL854082)
IC50
8700±n/a nM
Citation
 Chu, GH; Gu, M; Cassel, JA; Belanger, S; Stabley, GJ; DeHaven, RN; Conway-James, N; Koblish, M; Little, PJ; DeHaven-Hudkins, DL; Dolle, RE Novel phenylamino acetamide derivatives as potent and selective kappa opioid receptor agonists. Bioorg Med Chem Lett 16:645-8 (2005) [PubMed]  Article 
Target
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:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50176366
Synonyms:
CHEMBL204650 | N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2-(3-(methylsulfonamidomethyl)phenylamino)acetamide
Type:
Small organic molecule
Emp. Form.:
C23H32N4O4S
Mol. Mass.:
460.59
SMILES:
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1cccc(CNS(C)(=O)=O)c1
Structure:
Search PDB for entries with ligand similarity: