Reaction Details |
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Target | Adenosine deaminase |
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Ligand | BDBM22936 |
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Substrate/Competitor | BDBM14487 |
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Meas. Tech. | ADA Inhibition Assay |
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pH | 7.4±n/a |
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Temperature | 295.15±n/a K |
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Ki | 17±n/a nM |
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Citation | Terasaka, T; Kinoshita, T; Kuno, M; Seki, N; Tanaka, K; Nakanishi, I Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors. J Med Chem47:3730-43 (2004) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Adenosine deaminase |
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Name: | Adenosine deaminase |
Synonyms: | ADA | ADA1 | ADA_HUMAN | Adenosine aminohydrolase |
Type: | Enzyme |
Mol. Mass.: | 40759.44 |
Organism: | Homo sapiens (Human) |
Description: | Human recombinant ADA was expressed and purified from an ADA-deficient bacterial strain. |
Residue: | 363 |
Sequence: | MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVIGMDKPLTLPD
FLAKFDYYMPAIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSPHLLANSKVEPIPWNQA
EGDLTPDEVVALVGQGLQEGERDFGVKARSILCCMRHQPNWSPKVVELCKKYQQQTVVAI
DLAGDETIPGSSLLPGHVQAYQEAVKSGIHRTVHAGEVGSAEVVKEAVDILKTERLGHGY
HTLEDQALYNRLRQENMHFEICPWSSYLTGAWKPDTEHAVIRLKNDQANYSLNTDDPLIF
KSTLDTDYQMTKRDMGFTEEEFKRLNINAAKSSFLPEDEKRELLDLLYKAYGMPPSASAG
QNL
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BDBM22936 |
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BDBM14487 |
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Name | BDBM22936 |
Synonyms: | 1-[(2R)-1-hydroxy-4-{6-[3-(pyridin-3-yl)propanamido]-1H-indol-1-yl}butan-2-yl]-1H-imidazole-4-carboxamide | Hybrid compound 1(FR235999) derivative, 4j |
Type | Small organic molecule |
Emp. Form. | C24H26N6O3 |
Mol. Mass. | 446.5016 |
SMILES | NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCc3cccnc3)cc12 |r| |
Structure |
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