Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM50081425
Substrate
n/a
Meas. Tech.
ChEMBL_152656 (CHEMBL761582)
Ki
250000±n/a nM
Citation
 Abato, P; Conroy, JL; Seto, CT Combinatorial library of serine and cysteine protease inhibitors that interact with both the S and S' binding sites. J Med Chem 42:4001-9 (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:
BDBM50081425
Synonyms:
2-((R)-3-{(R)-3-[(S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-2-oxo-cyclohexyl}-propionylamino)-3-phenyl-propionic acid | CHEMBL339594
Type:
Small organic molecule
Emp. Form.:
C37H40N4O7
Mol. Mass.:
652.7361
SMILES:
OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O
Structure:
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