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Target
Adenosine deaminase
Ligand
BDBM22946
Substrate
BDBM14487
Meas. Tech.
ADA Inhibition Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
13±n/a nM
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 Chem 47:3730-43 (2004) [PubMed]  Article 
Target
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:
MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVIGMDKPLTLPDFLAKFDYYMPAIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSPHLLANSKVEPIPWNQAEGDLTPDEVVALVGQGLQEGERDFGVKARSILCCMRHQPNWSPKVVELCKKYQQQTVVAIDLAGDETIPGSSLLPGHVQAYQEAVKSGIHRTVHAGEVGSAEVVKEAVDILKTERLGHGYHTLEDQALYNRLRQENMHFEICPWSSYLTGAWKPDTEHAVIRLKNDQANYSLNTDDPLIFKSTLDTDYQMTKRDMGFTEEEFKRLNINAAKSSFLPEDEKRELLDLLYKAYGMPPSASAGQNL
  
Inhibitor
Name:
BDBM22946
Synonyms:
1-[(2R)-4-[5-(hexyloxy)-1-methyl-1H-indol-3-yl]-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide | Hybrid compound 1(FR235999) derivative, 8b
Type:
Small organic molecule
Emp. Form.:
C23H32N4O3
Mol. Mass.:
412.5252
SMILES:
CCCCCCOc1ccc2n(C)cc(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|
Structure:
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Substrate
Name:
BDBM14487
Synonyms:
(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | Adenine-beta-D-arabinofuranoside | Adenosine | CHEMBL477 | N6-Methylado | [U-14C]adenosine | cid_191 | cid_60961
Type:
Nucleoside or nucleotide
Emp. Form.:
C10H13N5O4
Mol. Mass.:
267.2413
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Structure:
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