Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM22857
Substrate
n/a
Meas. Tech.
ChEBML_152640
IC50
91000±n/a nM
Citation
 Singh, SB; Graham, PL; Reamer, RA; Cordingley, MG Discovery, total synthesis, HRV 3C-protease inhibitory activity, and structure-activity relationships of 2-methoxystypandrone and its analogues. Bioorg Med Chem Lett 11:3143-6 (2001) [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:
BDBM22857
Synonyms:
1,2-Dione-Based Compound, 14 | 9,10-dihydrophenanthrene-9,10-dione | CHEMBL51931 | Phenanthrene-9,10 dione | cid_6763
Type:
Small organic molecule
Emp. Form.:
C14H8O2
Mol. Mass.:
208.2121
SMILES:
O=C1C(=O)c2ccccc2-c2ccccc12
Structure:
Search PDB for entries with ligand similarity: