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Target
Papain
Ligand
BDBM50546078
Substrate
n/a
Meas. Tech.
ChEMBL_2013997 (CHEMBL4667575)
IC50
106±n/a nM
Citation
 Ward, DJ; Van de Langemheen, H; Koehne, E; Kreidenweiss, A; Liskamp, RMJ Highly tunable thiosulfonates as a novel class of cysteine protease inhibitors with anti-parasitic activity against Schistosoma mansoni. Bioorg Med Chem 27:2857-2870 (2019) [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:
BDBM50546078
Synonyms:
CHEMBL4750628
Type:
Small organic molecule
Emp. Form.:
C31H47F6N7O8S2
Mol. Mass.:
823.867
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CSS(=O)(=O)C1CCCCC1 |r|
Structure:
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