Target
Acyl-protein thioesterase 1
Ligand
BDBM50170954
Substrate
n/a
Meas. Tech.
ChEMBL_1578295 (CHEMBL3807663)
IC50
10000±n/a nM
Citation
 Cox, JMChu, HDKuethe, JTGao, YDScapin, GEiermann, GHe, HLi, XLyons, KAMetzger, JPetrov, AWu, JKXu, SSinha-Roy, RWeber, AEBiftu, T The discovery of novel 5,6,5- and 5,5,6-tricyclic pyrrolidines as potent and selective DPP-4 inhibitors. Bioorg Med Chem Lett 26:2622-6 (2016) [PubMed]  Article 
Target
Name:
Acyl-protein thioesterase 1
Synonyms:
Acyl-protein thioesterase 1/2 | Apt1 | LYPA1_RAT | Lypla1 | Lysosomal phospholipase A1
Type:
PROTEIN
Mol. Mass.:
24708.49
Organism:
Rattus norvegicus
Description:
ChEMBL_12731
Residue:
230
Sequence:
MCGNNMSAPMPAVVPAARKATAAVIFLHGLGDTGHGWAEAFAGIKSSHIKYICPHAPVMPVTLNMSMMMPSWFDIIGLSPDSQEDESGIKQAAETVKALIDQEVKNGIPSNRIILGGFSQGGALSLYTALTTQQKLAGVTALSCWLPLRASFSQGPINSANRDISVLQCHGDCDPLVPLMFGSLTVERLKGLVNPANVTFKVYEGMMHSSCQQEMMDVKYFIDKLLPPID
  
Inhibitor
Name:
BDBM50170954
Synonyms:
CHEMBL3804996
Type:
Small organic molecule
Emp. Form.:
C22H21F6N5
Mol. Mass.:
469.4261
SMILES:
Cc1cc(nc2c3CN(Cc3nn12)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: