| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine deaminase |
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| Ligand | BDBM22947 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_304850 (CHEMBL828409) |
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| IC50 | 6.7±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 |
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| Synonyms: | ADA | ADA1 | ADA_HUMAN | Adenosine aminohydrolase |
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| Type: | Enzyme |
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| Mol. Mass.: | 40759.44 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Human recombinant ADA was expressed and purified from an ADA-deficient bacterial strain. |
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| Residue: | 363 |
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| Sequence: | MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVIGMDKPLTLPD
FLAKFDYYMPAIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSPHLLANSKVEPIPWNQA
EGDLTPDEVVALVGQGLQEGERDFGVKARSILCCMRHQPNWSPKVVELCKKYQQQTVVAI
DLAGDETIPGSSLLPGHVQAYQEAVKSGIHRTVHAGEVGSAEVVKEAVDILKTERLGHGY
HTLEDQALYNRLRQENMHFEICPWSSYLTGAWKPDTEHAVIRLKNDQANYSLNTDDPLIF
KSTLDTDYQMTKRDMGFTEEEFKRLNINAAKSSFLPEDEKRELLDLLYKAYGMPPSASAG
QNL
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| BDBM22947 |
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| n/a |
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| Name | BDBM22947 |
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| Synonyms: | 1-[(2R)-4-{5-[3-(4-chlorophenyl)propoxy]-1-methyl-1H-indol-3-yl}-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide | CHEMBL340297 | Hybrid compound 1(FR235999) derivative, 8c |
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| Type | Small organic molecule |
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| Emp. Form. | C26H29ClN4O3 |
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| Mol. Mass. | 480.986 |
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| SMILES | Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccc(Cl)cc3)ccc12 |r| |
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| Structure | 
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