Reaction Details |
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Target | Papain |
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Ligand | BDBM50303441 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_595888 (CHEMBL1040868) |
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IC50 | 33.11±n/a nM |
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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 Chem53:52-60 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Papain |
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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
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BDBM50303441 |
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n/a |
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Name | BDBM50303441 |
Synonyms: | 9-(3,5-Difluorophenyl)-6-(ethylamino)-9H-purine-2-carbonitrile | CHEMBL567134 |
Type | Small organic molecule |
Emp. Form. | C14H10F2N6 |
Mol. Mass. | 300.2662 |
SMILES | CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N |
Structure |
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