Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM50052695
Substrate
n/a
Meas. Tech.
ChEMBL_152658 (CHEMBL761584)
pH
6.8±n/a
Ki
6600±n/a nM
Comments
extracted
Citation
 Meara, JP; Rich, DH Mechanistic studies on the inactivation of papain by epoxysuccinyl inhibitors. J Med Chem 39:3357-66 (1996) [PubMed]  Article 
Target
Name:
Papain
Synonyms:
Allergen=Car p 1 | PAPA1_CARPA | PPI | Papaya proteinase I
Type:
Enzyme
Mol. Mass.:
38923.01
Organism:
Carica papaya
Description:
Papain was purchased from Sigma, Germany.
Residue:
345
Sequence:
MAMIPSISKLLFVAICLFVYMGLSFGDFSIVGYSQNDLTSTERLIQLFESWMLKHNKIYKNIDEKIYRFEIFKDNLKYIDETNKKNNSYWLGLNVFADMSNDEFKEKYTGSIAGNYTTTELSYEEVLNDGDVNIPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNEYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGIHYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHAVAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
  
Inhibitor
Name:
BDBM50052695
Synonyms:
(2S,3S)-Oxirane-2,3-dicarboxylic acid 2-hydroxyamide 3-{[(S)-3-methyl-1-(3-methyl-butylcarbamoyl)-butyl]-amide} | CHEMBL115760
Type:
Small organic molecule
Emp. Form.:
C15H27N3O5
Mol. Mass.:
329.392
SMILES:
CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NO
Structure:
Search PDB for entries with ligand similarity: