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Target
Cytochrome P450 2D6
Ligand
BDBM50205681
Substrate
n/a
Meas. Tech.
ChEMBL_438438 (CHEMBL887539)
IC50
5400±n/a nM
Citation
 Chu, GH; Gu, M; Cassel, JA; Belanger, S; Graczyk, TM; DeHaven, RN; Conway-James, N; Koblish, M; Little, PJ; DeHaven-Hudkins, DL; Dolle, RE Novel malonamide derivatives as potent kappa opioid receptor agonists. Bioorg Med Chem Lett 17:1951-5 (2007) [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:
BDBM50205681
Synonyms:
CHEMBL230394 | N1-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N1-methyl-N3-(4-(methylsulfonamidomethyl)phenyl)malonamide
Type:
Small organic molecule
Emp. Form.:
C24H32N4O5S
Mol. Mass.:
488.6
SMILES:
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1ccc(CNS(C)(=O)=O)cc1
Structure:
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