Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM50052693
Substrate
n/a
Meas. Tech.
ChEMBL_152658 (CHEMBL761584)
pH
6.8±n/a
Ki
52000±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:
BDBM50052693
Synonyms:
(2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl)-butylcarbamoyl]-oxirane-2-carboxylic acid ethyl ester | (2S,3S)-ethyl 3-(((S)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)carbamoyl)oxirane-2-carboxylate | (2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methylbutane ethyl ester | 3-[3-Methyl-1-(3-methyl-butylcarbamoyl)-butylcarbamoyl]-oxirane-2-carboxylic acid ethyl ester | Aloxistatin | CHEMBL63440
Type:
Small organic molecule
Emp. Form.:
C17H30N2O5
Mol. Mass.:
342.4305
SMILES:
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r|
Structure:
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