Reaction Details Report a problem with these data
Target
Papain
Ligand
BDBM50355306
Substrate
n/a
Meas. Tech.
ChEMBL_772639 (CHEMBL1839725)
IC50
>50000±n/a nM
Citation
 Elsebai, MF; Natesan, L; Kehraus, S; Mohamed, IE; Schnakenburg, G; Sasse, F; Shaaban, S; Gütschow, M; König, GM HLE-inhibitory alkaloids with a polyketide skeleton from the marine-derived fungus Coniothyrium cereale. J Nat Prod 74:2282-5 (2011) [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:
BDBM50355306
Synonyms:
CHEMBL1835011
Type:
Small organic molecule
Emp. Form.:
C16H16O4
Mol. Mass.:
272.2958
SMILES:
C[C@@H]1OC2=C(C(=O)C(=O)c3cc(O)cc(C)c23)C1(C)C |r,t:3|
Structure:
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