Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM577336
Substrate
n/a
Meas. Tech.
Luciferase Reporter Assay
IC50
0.700±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:
BDBM577336
Synonyms:
(R)-2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N-((5-methylpyridin-2-yl)methyl)-2-phenylpropanamide | US11472811, Example 109B
Type:
Small organic molecule
Emp. Form.:
C26H23N9O2
Mol. Mass.:
493.5199
SMILES:
Cc1ccc(CNC(=O)[C@@](C)(c2ccccc2)n2ncc3c2nc(N)n2nc(nc32)-c2ccco2)nc1
Structure:
Search PDB for entries with ligand similarity: