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Target
Adenosine deaminase
Ligand
BDBM50170634
Substrate
n/a
Meas. Tech.
ChEMBL_304850 (CHEMBL828409)
IC50
8.7±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:
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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