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Target
Papain
Ligand
BDBM50437949
Substrate
n/a
Meas. Tech.
ChEMBL_972846 (CHEMBL2411623)
Ki
9700±n/a nM
Citation
 Schiefer, IT; Tapadar, S; Litosh, V; Siklos, M; Scism, R; Wijewickrama, GT; Chandrasena, EP; Sinha, V; Tavassoli, E; Brunsteiner, M; Fa', M; Arancio, O; Petukhov, P; Thatcher, GR Design, synthesis, and optimization of novel epoxide incorporating peptidomimetics as selective calpain inhibitors. J Med Chem 56:6054-68 (2013) [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:
BDBM50437949
Synonyms:
CHEMBL2408918 | US9403843, 34
Type:
Small organic molecule
Emp. Form.:
C21H16N4O5S2
Mol. Mass.:
468.506
SMILES:
OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)Nc1nc(cs1)-c1ccc(cc1)C#C |r|
Structure:
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