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Target
Papain
Ligand
BDBM50303420
Substrate
n/a
Meas. Tech.
ChEMBL_595888 (CHEMBL1040868)
IC50
44.67±n/a nM
Citation
 Mott, BT; Ferreira, RS; Simeonov, A; Jadhav, A; Ang, KK; Leister, W; Shen, M; Silveira, JT; Doyle, PS; Arkin, MR; McKerrow, JH; Inglese, J; Austin, CP; Thomas, CJ; Shoichet, BK; Maloney, DJ Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB. J Med Chem 53:52-60 (2010) [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:
BDBM50303420
Synonyms:
6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-carbonitrile | 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile | CHEMBL567341
Type:
Small organic molecule
Emp. Form.:
C14H10F2N6
Mol. Mass.:
300.2662
SMILES:
CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Structure:
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