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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Adenosine deaminase | ||
| Ligand | BDBM577366 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Luciferase Reporter Assay | ||
| IC50 | 1.20±n/a nM | ||
| Citation |  Zhang, G; Zhou, C Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist US Patent US11472811 Publication Date 10/18/2022 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Adenosine deaminase | |||
| 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: |
| ||
| BDBM577366 | |||
| n/a | |||
| Name | BDBM577366 | ||
| Synonyms: | 2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N-((cis)-4-hydroxy-4-methylcyclohexyl)-2-(2-methoxyphenyl)propanamide | US11472811, Example 140 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H30N8O4 | ||
| Mol. Mass. | 530.5783 | ||
| SMILES | COc1ccccc1C(C)(C(=O)N[C@H]1CC[C@](C)(O)CC1)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1 |wU:16.17,13.13,wD:16.18,(6.67,-1.32,;5.15,-1.08,;4.12,-2.23,;4.59,-3.69,;3.56,-4.84,;2.05,-4.52,;1.58,-3.05,;2.61,-1.91,;2.13,-.44,;1.73,1.05,;3.22,.65,;2.82,2.13,;4.71,.25,;5.8,1.34,;5.4,2.82,;6.49,3.91,;7.98,3.51,;9.46,3.91,;8.38,5,;8.38,2.03,;7.29,.94,;.63,-.12,;0,1.28,;-1.53,1.12,;-1.85,-.38,;-.52,-1.15,;-.52,-2.69,;-1.85,-3.46,;-1.85,-5,;-3.18,-2.69,;-4.65,-3.17,;-5.55,-1.92,;-4.65,-.68,;-3.18,-1.15,;-7.09,-1.92,;-8,-3.17,;-9.46,-2.69,;-9.46,-1.15,;-8,-.68,)| | ||
| Structure | 
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