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Reaction Details
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TargetPapain
LigandBDBM20120
Substrate/CompetitorBDBM20081
Meas. Tech.Papain Inhibition Assay
Ki 16±n/a nM
Citation Löser, RSchilling, KDimmig, EGütschow, M Interaction of papain-like cysteine proteases with dipeptide-derived nitriles. J Med Chem48:7688-707 (2005) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  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:
BDBM20120
BDBM20081
NameBDBM20120
Synonyms:(2S)-N-(cyanomethyl)-3-phenyl-2-[(4-phenylphenyl)formamido]propanamide | phenylalanine derivative, 44
TypeSmall organic molecule
Emp. Form.C24H21N3O2
Mol. Mass.383.4424
SMILESO=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: