Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM50441678
Substrate
n/a
Meas. Tech.
ChEMBL_988143 (CHEMBL2439234)
IC50
>10000±n/a nM
Citation
 Ribeiro, CJ; Kumar, SP; Gut, J; Gonçalves, LM; Rosenthal, PJ; Moreira, R; Santos, MM Squaric acid/4-aminoquinoline conjugates: novel potent antiplasmodial agents. Eur J Med Chem 69:365-72 (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:
BDBM50441678
Synonyms:
CHEMBL2435701
Type:
Small organic molecule
Emp. Form.:
C28H26Cl2N6O2
Mol. Mass.:
549.451
SMILES:
Clc1ccc2c(NCCCNc3c(NCCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1
Structure:
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