Reaction Details |
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Target | Cathepsin B-like cysteine protease |
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Ligand | BDBM22090 |
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Substrate/Competitor | BDBM22047 |
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Meas. Tech. | Enzyme Inhibition Assay |
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Temperature | 298.15±n/a K |
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IC50 | >25000±n/a nM |
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Comments | extracted |
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Citation | Mallari, JP; Shelat, AA; Obrien, T; Caffrey, CR; Kosinski, A; Connelly, M; Harbut, M; Greenbaum, D; McKerrow, JH; Guy, RK Development of potent purine-derived nitrile inhibitors of the trypanosomal protease TbcatB. J Med Chem51:545-52 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Cathepsin B-like cysteine protease |
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Name: | Cathepsin B-like cysteine protease |
Synonyms: | CPC | Cathepsin B-Like Cysteine Protease (TbcatB) | Cysteine peptidase C | TbcatB |
Type: | Enzyme |
Mol. Mass.: | 37220.37 |
Organism: | Trypanosoma brucei |
Description: | Enzyme was expressed in yeast Pichia pastoris. |
Residue: | 340 |
Sequence: | MHLMRACITFCIASTAVVAVNAALVAEDAPVLSKAFVDRVNRLNRGIWKAKYDGVMQNIT
LREAKRLNGVIKKNNNASILPKRRFTEEEARAPLPSSFDSAEAWPNCPTIPQIADQSACG
SCWAVAAASAMSDRFCTMGGVQDVHISAGDLLACCSDCGDGCNGGDPDRAWAYFSSTGLV
SDYCQPYPFPHCSHHSKSKNGYPPCSQFNFDTPKCNYTCDDPTIPVVNYRSWTSYALQGE
DDYMRELFFRGPFEVAFDVYEDFIAYNSGVYHHVSGQYLGGHAVRLVGWGTSNGVPYWKI
ANSWNTEWGMDGYFLIRRGSSECGIEDGGSAGIPLAPNTA
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BDBM22090 |
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BDBM22047 |
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Name | BDBM22090 |
Synonyms: | 6-{[(4-chlorophenyl)methyl]amino}-9-{[3-(trifluoromethyl)phenyl]methyl}-9H-purine-2-carbonitrile | Compound 3{10,18} |
Type | Small organic molecule |
Emp. Form. | C21H14ClF3N6 |
Mol. Mass. | 442.824 |
SMILES | FC(F)(F)c1cccc(Cn2cnc3c(NCc4ccc(Cl)cc4)nc(nc23)C#N)c1 |
Structure |
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