Reaction Details Report a problem with these data
Target
Pancreatic triacylglycerol lipase
Ligand
BDBM50326047
Substrate
n/a
Meas. Tech.
ChEMBL_655605 (CHEMBL1244649)
IC50
16000±n/a nM
Citation
 Heinis, C; Rutherford, T; Freund, S; Winter, G Phage-encoded combinatorial chemical libraries based on bicyclic peptides. Nat Chem Biol 5:502-7 (2009) [PubMed]  Article 
Target
Name:
Pancreatic triacylglycerol lipase
Synonyms:
LIPP_HUMAN | PL | PNLIP | Pancreatic lipase
Type:
PROTEIN
Mol. Mass.:
51157.75
Organism:
Homo sapiens (Human)
Description:
ChEMBL_527250
Residue:
465
Sequence:
MLPLWTLSLLLGAVAGKEVCYERLGCFSDDSPWSGITERPLHILPWSPKDVNTRFLLYTNENPNNFQEVAADSSSISGSNFKTNRKTRFIIHGFIDKGEENWLANVCKNLFKVESVNCICVDWKGGSRTGYTQASQNIRIVGAEVAYFVEFLQSAFGYSPSNVHVIGHSLGAHAAGEAGRRTNGTIGRITGLDPAEPCFQGTPELVRLDPSDAKFVDVIHTDGAPIVPNLGFGMSQVVGHLDFFPNGGVEMPGCKKNILSQIVDIDGIWEGTRDFAACNHLRSYKYYTDSIVNPDGFAGFPCASYNVFTANKCFPCPSGGCPQMGHYADRYPGKTNDVGQKFYLDTGDASNFARWRYKVSVTLSGKKVTGHILVSLFGNKGNSKQYEIFKGTLKPDSTHSNEFDSDVDVGDLQMVKFIWYNNVINPTLPRVGASKIIVETNVGKQFNFCSPETVREEVLLTLTPC
  
Inhibitor
Name:
BDBM50326047
Synonyms:
(6S,9R,12R)-1-((R)-1-((R)-2-((S)-1-((S)-5-amino-2-((R)-2-amino-3-mercaptopropanamido)-5-oxopentanoyl)pyrrolidine-2-carboxamido)-3-(1H-imidazol-5-yl)propanoyl)pyrrolidin-2-yl)-6-(3-amino-3-oxopropyl)-9-((R)-1-hydroxyethyl)-12-(mercaptomethyl)-1,4,7,10-tetraoxo-2,5,8,11-tetraazatridecan-13-oic acid | CHEMBL1240685
Type:
Small organic molecule
Emp. Form.:
C38H59N13O13S2
Mol. Mass.:
970.084
SMILES:
C[C@@H](O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@H](CS)C(O)=O |r|
Structure:
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