Reaction Details |
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Target | Cysteine protease |
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Ligand | BDBM50300784 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_591545 (CHEMBL1062951) |
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IC50 | 2000±n/a nM |
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Citation | Mallari, JP; Shelat, AA; Kosinski, A; Caffrey, CR; Connelly, M; Zhu, F; McKerrow, JH; Guy, RK Structure-guided development of selective TbcatB inhibitors. J Med Chem52:6489-93 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cysteine protease |
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Name: | Cysteine protease |
Synonyms: | Rhodesain |
Type: | PROTEIN |
Mol. Mass.: | 48425.78 |
Organism: | Trypanosoma brucei rhodesiense |
Description: | ChEMBL_619861 |
Residue: | 450 |
Sequence: | MPRTEMVRFVRLPVVLLAMAACLASVALGSLHVEESLEMRFAAFKKKYGKVYKDAKEEAF
RFRAFEENMEQAKIQAAANPYATFGVTPFSDMTREEFRARYRNGASYFAAAQKRLRKTVN
VTTGRAPAAVDWREKGAVTPVKDQGQCGSCWAFSTIGNIEGQWQVAGNPLVSLSEQMLVS
CDTIDFGCGGGLMDNAFNWIVNSNGGNVFTEASYPYVSGNGEQPQCQMNGHEIGAAITDH
VDLPQDEDAIAAYLAENGPLAIAVDATSFMDYNGGILTSCTSEQLDHGVLLVGYNDSSNP
PYWIIKNSWSNMWGEDGYIRIEKGTNQCLMNQAVSSAVVGGPTPPPPPPPPPSATFTQDF
CEGKGCTKGCSHATFPTGECVQTTGVGSVIATCGASNLTQIIYPLSRSCSGLSVPITVPL
DKCIPILIGSVEYHCSTNPPTKAARLVPHQ
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BDBM50300784 |
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n/a |
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Name | BDBM50300784 |
Synonyms: | 9-(3-hydroxypropyl)-6-(3-(1-(phenylsulfonyl)-1H-indol-3-yl)benzylamino)-9H-purine-2-carbonitrile | CHEMBL582971 |
Type | Small organic molecule |
Emp. Form. | C30H25N7O3S |
Mol. Mass. | 563.63 |
SMILES | OCCCn1cnc2c(NCc3cccc(c3)-c3cn(c4ccccc34)S(=O)(=O)c3ccccc3)nc(nc12)C#N |
Structure |
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