Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50176362
Substrate
n/a
Meas. Tech.
ChEMBL_332935 (CHEMBL854082)
IC50
670±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:
BDBM50176362
Synonyms:
2-((4-cyanophenyl)(methyl)amino)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methylacetamide | CHEMBL203306
Type:
Small organic molecule
Emp. Form.:
C23H28N4O2
Mol. Mass.:
392.494
SMILES:
CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccc(cc1)C#N
Structure:
Search PDB for entries with ligand similarity: