Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM50070497
Substrate
n/a
Meas. Tech.
ChEMBL_152523 (CHEMBL757558)
IC50
105000±n/a nM
Citation
 Bajusz, S; Fauszt, I; Németh, K; Barabás, E; Juhász, A; Patthy, M Peptidyl beta-homo-aspartals: specific inhibitors of interleukin-1 beta converting enzyme and its homologues (caspases). Bioorg Med Chem Lett 8:1477-82 (1999) [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:
BDBM50070497
Synonyms:
CHEMBL37975 | {(S)-1-[(S)-4-Guanidino-1-(2-oxo-ethyl)-butylcarbamoyl]-2-phenyl-ethyl}-carbamic acid isobutyl ester
Type:
Small organic molecule
Emp. Form.:
C21H33N5O4
Mol. Mass.:
419.5178
SMILES:
CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CC=O
Structure:
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