Reaction Details Report a problem with these data
Target
S-formylglutathione hydrolase
Ligand
BDBM50069664
Substrate
n/a
Meas. Tech.
ChEMBL_68126 (CHEMBL681160)
Ki
130±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 
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:
BDBM50069664
Synonyms:
(E)-2-Acetoxy-3-[((S)-1-{(S)-2-[(S)-2-(3-methoxycarbonyl-propionylamino)-propionylamino]-propionyl}-pyrrolidine-2-carbonyl)-amino]-4-methyl-pent-2-enoic acid methyl ester | CHEMBL160446
Type:
Small organic molecule
Emp. Form.:
C25H38N4O10
Mol. Mass.:
554.59
SMILES:
COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(=O)OC
Structure:
Search PDB for entries with ligand similarity: