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Target
Cytochrome P450 2D6
Ligand
BDBM50215333
Substrate
n/a
Meas. Tech.
ChEMBL_439398 (CHEMBL888511)
IC50
11600±n/a nM
Citation
 Cox, JM; Harper, B; Mastracchio, A; Leiting, B; Sinha Roy, R; Patel, RA; Wu, JK; Lyons, KA; He, H; Xu, S; Zhu, B; Thornberry, NA; Weber, AE; Edmondson, SD Discovery of 3-aminopiperidines as potent, selective, and orally bioavailable dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett 17:4579-83 (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:
BDBM50215333
Synonyms:
(3R,4R)-1-(pyrazino[2,3-b]pyrazin-2-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-aminium 2,2,2-trifluoroacetate | CHEMBL231196
Type:
Small organic molecule
Emp. Form.:
C17H16F3N6
Mol. Mass.:
361.3438
SMILES:
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnc2nccnc2n1
Structure:
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