Reaction Details Report a problem with these data
Target
Xaa-Pro dipeptidase
Ligand
BDBM50153386
Substrate
n/a
Meas. Tech.
ChEMBL_304595 (CHEMBL828485)
IC50
>100000±n/a nM
Citation
 Edmondson, SD; Mastracchio, A; Beconi, M; Colwell, LF; Habulihaz, B; He, H; Kumar, S; Leiting, B; Lyons, KA; Mao, A; Marsilio, F; Patel, RA; Wu, JK; Zhu, L; Thornberry, NA; Weber, AE; Parmee, ER Potent and selective proline derived dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett 14:5151-5 (2004) [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:
BDBM50153386
Synonyms:
CHEMBL435882 | Trifluoro-acetate1-(2-fluoro-benzyl)-3-oxo-3-[(S)-2-(4-trifluoromethyl-benzylcarbamoyl)-pyrrolidin-1-yl]-propyl-ammonium;
Type:
Small organic molecule
Emp. Form.:
C23H26F4N3O2
Mol. Mass.:
452.4645
SMILES:
[NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(F)(F)F)Cc1ccccc1F
Structure:
Search PDB for entries with ligand similarity: