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Target
Adenosine deaminase
Ligand
BDBM577218
Substrate
n/a
Meas. Tech.
Luciferase Reporter Assay
IC50
0.900±n/a nM
Citation
 Zhang, G; Zhou, C Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist US Patent  US11472811 Publication Date 10/18/2022 
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:
BDBM577218
Synonyms:
US11472811, Example 18
Type:
Small organic molecule
Emp. Form.:
C28H25N9O3
Mol. Mass.:
535.5566
SMILES:
Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)C(C(=O)NCc1cccc(n1)C1(O)CCC1)c1ccccc1
Structure:
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