Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM50409584
Substrate
n/a
Meas. Tech.
ChEMBL_222141 (CHEMBL822229)
Ki
17±n/a nM
Citation
 Wieczerzak, E; Drabik, P; Łankiewicz, L; Oldziej, S; Grzonka, Z; Abrahamson, M; Grubb, A; Brömme, D Azapeptides structurally based upon inhibitory sites of cystatins as potent and selective inhibitors of cysteine proteases. J Med Chem 45:4202-11 (2002) [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:
BDBM50409584
Synonyms:
CHEMBL2028906
Type:
Small organic molecule
Emp. Form.:
C49H74N12O10
Mol. Mass.:
991.1863
SMILES:
CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC |r|
Structure:
Search PDB for entries with ligand similarity: