Reaction Details Report a problem with these data
Target
S-formylglutathione hydrolase
Ligand
BDBM50069665
Substrate
n/a
Meas. Tech.
ChEMBL_68127 (CHEMBL681161)
Ki
13±n/a nM
Citation
Burkhart, JP; Mehdi, S; Koehl, JR; Angelastro, MR; Bey, P; Peet, NP Preparation of alpha-keto ester enol acetates as potential prodrugs of human neutrophil elastase inhibitors. Bioorg Med Chem Lett 8:63-4 (1999) [PubMed] Article
More Info.:
Target
Name:
S-formylglutathione hydrolase
Synonyms:
ESD | ESTD_PIG | Esterase D
Type:
PROTEIN
Mol. Mass.:
31484.46
Organism:
Sus scrofa
Description:
ChEMBL_68127
Residue:
282
Sequence:
MALKQLSSNKCFGGLQKVFEHDSVELKCKMKFAIYLPPKAETGKCPALYWLSGLTCTEQNFITKSGYHQAASEHGLVVIAPDTSPRGCNIKGEDESWDFGTGAGFYLDATEDPWKTNYRMYSYVTEELPQLINANFPVDPQRMSIFGHSMGGHGALICTLKNPGKYKSVSAFAPICNPVLCPWGKKAFSGYLGTDESKWKAYDATHLVKSYPGSQLDILIDQGKDDQFLSDGQLLPDNFIAACTEKKIPVVFRSQEGYDHSYYFIATFITDHIRHHAKYLNA
Inhibitor
Name:
BDBM50069665
Synonyms:
(E)-2-Acetoxy-3-{[(S)-1-((S)-2-{(S)-2-[4-(4-chloro-benzenesulfonylaminocarbonyl)-benzoylamino]-propionylamino}-propionyl)-pyrrolidine-2-carbonyl]-amino}-4-methyl-pent-2-enoic acid methyl ester | CHEMBL157404
Type:
Small organic molecule
Emp. Form.:
C34H40ClN5O11S
Mol. Mass.:
762.226
SMILES:
COC(=O)C(\OC(C)=O)=C(/NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C