Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM16510
Substrate
n/a
Meas. Tech.
ChEMBL_152658 (CHEMBL761584)
pH
6.8±n/a
Ki
2400±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:
BDBM16510
Synonyms:
(2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid | (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid | (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid | (2S,3S)-3-[[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid | (2S,3S)-3-{[(1S)-3-methyl-1-[(3-methylbutyl)carbamoyl]butyl]carbamoyl}oxirane-2-carboxylic acid | CHEMBL418661 | E-64C | HO-tES-Leu-NH-CH2-CH2CH(CH3)2 | MLS000028693 | SMR000058872 | cid_123664 | epoxysuccinyl derivative E64c
Type:
Small organic molecule
Emp. Form.:
C15H26N2O5
Mol. Mass.:
314.3773
SMILES:
CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: