Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM577377
Substrate
n/a
Meas. Tech.
Luciferase Reporter Assay
IC50
1.70±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:
BDBM577377
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-(2-(4-hydroxycyclohexyl)ethyl)-2-phenylpropanamide | US11472811, Example 149B
Type:
Small organic molecule
Emp. Form.:
C27H30N8O3
Mol. Mass.:
514.5789
SMILES:
C[C@](C(=O)NCCC1CCC(O)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |wU:1.21,wD:1.0,(.65,.9,;1.04,-.59,;2.13,.5,;1.73,1.99,;3.62,.1,;4.71,1.19,;6.2,.79,;7.29,1.88,;6.89,3.37,;7.98,4.46,;9.46,4.06,;10.55,5.15,;9.86,2.57,;8.77,1.48,;1.52,-2.05,;3.03,-2.37,;3.5,-3.84,;2.47,-4.98,;.97,-4.66,;.49,-3.2,;-.46,-.27,;-1.09,1.14,;-2.62,.98,;-2.94,-.53,;-1.61,-1.3,;-1.61,-2.84,;-2.94,-3.61,;-2.94,-5.15,;-4.27,-2.84,;-5.74,-3.31,;-6.64,-2.07,;-5.74,-.82,;-4.27,-1.3,;-8.18,-2.07,;-9.09,-3.31,;-10.55,-2.84,;-10.55,-1.3,;-9.09,-.82,)|
Structure:
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