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Target
Adenosine deaminase
Ligand
BDBM22949
Substrate
n/a
Meas. Tech.
ChEMBL_304850 (CHEMBL828409)
IC50
15±n/a nM
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 Chem 48:4750-3 (2005) [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:
BDBM22949
Synonyms:
1-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxypentan-3-yl]-1H-imidazole-4-carboxamide | CHEMBL328139 | imidazole-4-carboxamide analogue, 6
Type:
Small organic molecule
Emp. Form.:
C15H17Cl2N3O2
Mol. Mass.:
342.22
SMILES:
C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(c1)C(N)=O |r|
Structure:
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