Reaction Details Report a problem with these data
Target
Pancreatic triacylglycerol lipase
Ligand
BDBM50269332
Substrate
n/a
Meas. Tech.
ChEMBL_1705930 (CHEMBL4057163)
Ki
14400±n/a nM
Citation
 S N C, S; Bhurta, D; Kantiwal, D; George, G; Monga, V; Paul, AT Design, synthesis, biological evaluation and molecular modelling studies of novel diaryl substituted pyrazolyl thiazolidinediones as potent pancreatic lipase inhibitors. Bioorg Med Chem Lett 27:3749-3754 (2017) [PubMed]  Article 
Target
Name:
Pancreatic triacylglycerol lipase
Synonyms:
LIPP_PIG | PL | PNLIP | PTL | Pancreatic lipase | Pancreatic triacylglycerol lipase
Type:
Enzyme
Mol. Mass.:
50080.69
Organism:
Sus scrofa (Pig)
Description:
P00591
Residue:
450
Sequence:
SEVCFPRLGCFSDDAPWAGIVQRPLKILPWSPKDVDTRFLLYTNQNQNNYQELVADPSTITNSNFRMDRKTRFIIHGFIDKGEEDWLSNICKNLFKVESVNCICVDWKGGSRTGYTQASQNIRIVGAEVAYFVEVLKSSLGYSPSNVHVIGHSLGSHAAGEAGRRTNGTIERITGLDPAEPCFQGTPELVRLDPSDAKFVDVIHTDAAPIIPNLGFGMSQTVGHLDFFPNGGKQMPGCQKNILSQIVDIDGIWEGTRDFVACNHLRSYKYYADSILNPDGFAGFPCDSYNVFTANKCFPCPSEGCPQMGHYADRFPGKTNGVSQVFYLNTGDASNFARWRYKVSVTLSGKKVTGHILVSLFGNEGNSRQYEIYKGTLQPDNTHSDEFDSDVEVGDLQKVKFIWYNNNVINPTLPRVGASKITVERNDGKVYDFCSQETVREEVLLTLNPC
  
Inhibitor
Name:
BDBM50269332
Synonyms:
CHEMBL4082647
Type:
Small organic molecule
Emp. Form.:
C26H17ClN4O4S
Mol. Mass.:
516.956
SMILES:
[O-][N+](=O)c1ccc(CN2C(=O)S\C(=C/c3cn(nc3-c3ccc(Cl)cc3)-c3ccccc3)C2=O)cc1
Structure:
Search PDB for entries with ligand similarity: