Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM50553988
Substrate
n/a
Meas. Tech.
ChEMBL_2048294 (CHEMBL4702993)
IC50
3.4±n/a nM
Citation
 Juettner, NE; Bogen, JP; Bauer, TA; Knapp, S; Pfeifer, F; Huettenhain, SH; Meusinger, R; Kraemer, A; Fuchsbauer, HL Decoding the Papain Inhibitor from  J Nat Prod 83:2983-2995 (2020) [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:
BDBM50553988
Synonyms:
Antipain
Type:
Small organic molecule
Emp. Form.:
C27H44N10O6
Mol. Mass.:
604.7017
SMILES:
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
Structure:
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