Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM50441675
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:
BDBM50441675
Synonyms:
CHEMBL2435705
Type:
Small organic molecule
Emp. Form.:
C23H29N3O4
Mol. Mass.:
411.4941
SMILES:
CCCCOc1c(NCCCC(C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O
Structure:
Search PDB for entries with ligand similarity: