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Target
Adenosine deaminase
Ligand
BDBM22947
Substrate
n/a
Meas. Tech.
ChEMBL_304850 (CHEMBL828409)
IC50
6.7±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:
BDBM22947
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
Type:
Small organic molecule
Emp. Form.:
C26H29ClN4O3
Mol. Mass.:
480.986
SMILES:
Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccc(Cl)cc3)ccc12 |r|
Structure:
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