Reaction Details |
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Target | Papain |
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Ligand | BDBM50437949 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_972846 (CHEMBL2411623) |
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Ki | 9700±n/a nM |
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Citation | Schiefer, IT; Tapadar, S; Litosh, V; Siklos, M; Scism, R; Wijewickrama, GT; Chandrasena, EP; Sinha, V; Tavassoli, E; Brunsteiner, M; Fa', M; Arancio, O; Petukhov, P; Thatcher, GR Design, synthesis, and optimization of novel epoxide incorporating peptidomimetics as selective calpain inhibitors. J Med Chem56:6054-68 (2013) [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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BDBM50437949 |
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n/a |
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Name | BDBM50437949 |
Synonyms: | CHEMBL2408918 | US9403843, 34 |
Type | Small organic molecule |
Emp. Form. | C21H16N4O5S2 |
Mol. Mass. | 468.506 |
SMILES | OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)Nc1nc(cs1)-c1ccc(cc1)C#C |r| |
Structure |
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