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Target
Adenosine deaminase
Ligand
BDBM22950
Substrate
BDBM14487
Meas. Tech.
ADA Inhibition Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
9.8±n/a nM
Citation
 Terasaka, T; Okumura, H; Tsuji, K; Kato, T; Nakanishi, I; Kinoshita, T; Kato, Y; Kuno, M; Seki, N; Naoe, Y; Inoue, T; Tanaka, K; Nakamura, K Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors. J Med Chem 47:2728-31 (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:
BDBM22950
Synonyms:
1-[(3R,4S)-4-hydroxy-1-(naphthalen-2-yloxy)pentan-3-yl]-1H-imidazole-4-carboxamide | imidazole-4-carboxamide analogue, 7
Type:
Small organic molecule
Emp. Form.:
C19H21N3O3
Mol. Mass.:
339.3883
SMILES:
C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(c1)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity:
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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