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Target
Papain
Ligand
BDBM50048070
Substrate
n/a
Meas. Tech.
ChEMBL_1453723 (CHEMBL3364438)
IC50
350±n/a nM
Citation
 Wammes, AE; Hendriks, TG; Amatdjais-Groenen, HI; Wijdeven, MA; van Hest, JC; van Delft, FL; Ritschel, T; Rutjes, FP Influence of azide incorporation on binding affinity by small papain inhibitors. Bioorg Med Chem 22:5593-603 (2014) [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:
BDBM50048070
Synonyms:
CHEMBL3357964
Type:
Small organic molecule
Emp. Form.:
C36H46N8O6
Mol. Mass.:
686.8004
SMILES:
[H][C@@]12CCc3nnn(Cc4ccc(cc4)C(=O)N[C@@H](Cc4ccccc4)C(=O)NCC#N)c3CC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCN |r|
Structure:
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