Reaction Details Report a problem with these data
Target
Pancreatic triacylglycerol lipase
Ligand
BDBM24567
Substrate
n/a
Meas. Tech.
ChEMBL_1735716 (CHEMBL4151252)
IC50
800±n/a nM
Citation
Jalaja, R; Leela, SG; Valmiki, PK; Salfeena, CTF; Ashitha, KT; Krishna Rao, VRD; Nair, MS; Gopalan, RK; Somappa, SB Discovery of Natural Product Derived Labdane Appended Triazoles as Potent Pancreatic Lipase Inhibitors. ACS Med Chem Lett 9:662-666 (2018) [PubMed] Article
More Info.:
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:
BDBM24567
Synonyms:
(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate | CHEMBL175247 | Orlistat | THLP | Tetrahydrolipstatin | US9328123, Orlistat | Xenical
Type:
Small organic molecule
Emp. Form.:
C29H53NO5
Mol. Mass.:
495.7348
SMILES:
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|