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Target
Cytochrome P450 2D6
Ligand
BDBM50296773
Substrate
n/a
Meas. Tech.
ChEMBL_582509 (CHEMBL1060842)
IC50
1800±n/a nM
Citation
 Nordhoff, S; López-Canet, M; Hoffmann-Enger, B; Bulat, S; Cerezo-Gálvez, S; Hill, O; Rosenbaum, C; Rummey, C; Thiemann, M; Matassa, VG; Edwards, PJ; Feurer, A From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett 19:4818-23 (2009) [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:
BDBM50296773
Synonyms:
6-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methoxy)nicotinonitrile | CHEMBL563849
Type:
Small organic molecule
Emp. Form.:
C21H21F3N4O2
Mol. Mass.:
418.4122
SMILES:
N[C@@H](CC(=O)N1CCC[C@H]1COc1ccc(cn1)C#N)Cc1cc(F)c(F)cc1F |r|
Structure:
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