Reaction Details Report a problem with these data
Target
Xaa-Pro dipeptidase
Ligand
BDBM50232521
Substrate
n/a
Meas. Tech.
ChEMBL_461055 (CHEMBL944087)
IC50
>10000±n/a nM
Citation
 Kim, D; Kowalchick, JE; Brockunier, LL; Parmee, ER; Eiermann, GJ; Fisher, MH; He, H; Leiting, B; Lyons, K; Scapin, G; Patel, SB; Petrov, A; Pryor, KD; Roy, RS; Wu, JK; Zhang, X; Wyvratt, MJ; Zhang, BB; Zhu, L; Thornberry, NA; Weber, AE Discovery of potent and selective dipeptidyl peptidase IV inhibitors derived from beta-aminoamides bearing subsituted triazolopiperazines. J Med Chem 51:589-602 (2008) [PubMed]  Article 
Target
Name:
Xaa-Pro dipeptidase
Synonyms:
PEPD | PEPD_HUMAN | PRD
Type:
PROTEIN
Mol. Mass.:
54541.05
Organism:
Homo sapiens (Human)
Description:
ChEMBL_159887
Residue:
493
Sequence:
MAAATGPSFWLGNETLKVPLALFALNRQRLCERLRKNPAVQAGSIVVLQGGEETQRYCTDTGVLFRQESFFHWAFGVTEPGCYGVIDVDTGKSTLFVPRLPASHATWMGKIHSKEHFKEKYAVDDVQYVDEIASVLTSQKPSVLLTLRGVNTDSGSVCREASFDGISKFEVNNTILHPEIVECRVFKTDMELEVLRYTNKISSEAHREVMKAVKVGMKEYELESLFEHYCYSRGGMRHSSYTCICGSGENSAVLHYGHAGAPNDRTIQNGDMCLFDMGGEYYCFASDITCSFPANGKFTADQKAVYEAVLRSSRAVMGAMKPGVWWPDMHRLADRIHLEELAHMGILSGSVDAMVQAHLGAVFMPHGLGHFLGIDVHDVGGYPEGVERIDEPGLRSLRTARHLQPGMVLTVEPGIYFIDHLLDEALADPARASFLNREVLQRFRGFGGVRIEEDVVVTDSGIELLTCVPRTVEEIEACMAGCDKAFTPFSGPK
  
Inhibitor
Name:
BDBM50232521
Synonyms:
(2R)-4-[(6R)-6-methyl-3-(trifluoromethyl)-5,6-dihydro[[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine hydrochloride | CHEMBL553787
Type:
Small organic molecule
Emp. Form.:
C17H17F6N5O
Mol. Mass.:
421.3402
SMILES:
C[C@@H]1Cn2c(CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)nnc2C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: