Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPapain
LigandBDBM50048079
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1453723 (CHEMBL3364438)
IC50 280±n/a nM
Citation Wammes, AEHendriks, TGAmatdjais-Groenen, HIWijdeven, MAvan Hest, JCvan Delft, FLRitschel, TRutjes, FP Influence of azide incorporation on binding affinity by small papain inhibitors. Bioorg Med Chem22:5593-603 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Papain
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:
MAMIPSISKLLFVAICLFVYMGLSFGDFSIVGYSQNDLTSTERLIQLFESWMLKHNKIYK
NIDEKIYRFEIFKDNLKYIDETNKKNNSYWLGLNVFADMSNDEFKEKYTGSIAGNYTTTE
LSYEEVLNDGDVNIPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNE
YSEQELLDCDRRSYGCNGGYPWSALQLVAQYGIHYRNTYPYEGVQRYCRSREKGPYAAKT
DGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHAVAAVGYG
PNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50048079
n/a
NameBDBM50048079
Synonyms:CHEMBL3357955
TypeSmall organic molecule
Emp. Form.C19H18N6O3
Mol. Mass.378.3846
SMILESOc1ccc(C[C@H](NC(=O)c2ccc(CN=[N+]=[N-])cc2)C(=O)NCC#N)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: