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Target
Papain
Ligand
BDBM50048071
Substrate
n/a
Meas. Tech.
ChEMBL_1453723 (CHEMBL3364438)
IC50
5980±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:
BDBM50048071
Synonyms:
CHEMBL3357965
Type:
Small organic molecule
Emp. Form.:
C45H49N9O6
Mol. Mass.:
811.9273
SMILES:
NCCOCCOCCNC(=O)CCCC(=O)N1Cc2ccccc2-c2c(nnn2Cc2ccc(cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC#N)-c2ccccc12 |r|
Structure:
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