Reaction Details |
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Target | Adenosine deaminase |
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Ligand | BDBM50170634 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_304850 (CHEMBL828409) |
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IC50 | 8.7±n/a nM |
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Citation | Terasaka, T; Tsuji, K; Kato, T; Nakanishi, I; Kinoshita, T; Kato, Y; Kuno, M; Inoue, T; Tanaka, K; Nakamura, K Rational design of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors: predicting enzyme conformational change and metabolism. J Med Chem48:4750-3 (2005) [PubMed] Article |
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More Info.: | Get all data from this article, 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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BDBM50170634 |
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n/a |
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Name | BDBM50170634 |
Synonyms: | 1-((1R,2S)-1-{2-[2-(4-Chloro-phenyl)-benzooxazol-4-yl]-ethyl}-2-hydroxy-propyl)-1H-imidazole-4-carboxylic acid amide | CHEMBL436332 |
Type | Small organic molecule |
Emp. Form. | C22H21ClN4O3 |
Mol. Mass. | 424.88 |
SMILES | C[C@H](O)[C@@H](CCc1cccc2oc(nc12)-c1ccc(Cl)cc1)n1cnc(c1)C(N)=O |
Structure |
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