Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM50095489
Substrate
n/a
Meas. Tech.
ChEMBL_222263 (CHEMBL823835)
pH
5.5±n/a
IC50
230±n/a nM
Comments
extracted
Citation
 Falgueyret, JP; Oballa, RM; Okamoto, O; Wesolowski, G; Aubin, Y; Rydzewski, RM; Prasit, P; Riendeau, D; Rodan, SB; Percival, MD Novel, nonpeptidic cyanamides as potent and reversible inhibitors of human cathepsins K and L. J Med Chem 44:94-104 (2001) [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:
BDBM50095489
Synonyms:
CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzenesulfonamide | N-(1-cyanopyrrolidin-3-yl)benzenesulfonamide | US11414402, Example 5
Type:
Small organic molecule
Emp. Form.:
C11H13N3O2S
Mol. Mass.:
251.305
SMILES:
O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: