Reaction Details | |||
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Target | Adenosine receptor A2a | ||
Ligand | BDBM50364063 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_805333 (CHEMBL1955226) | ||
Ki | 0.5±n/a nM | ||
Citation | Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA Evaluation of molecular modeling of agonist binding in light of the crystallographic structure of an agonist-bound A2A adenosine receptor. J Med Chem55:538-52 (2012) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Adenosine receptor A2a | |||
Name: | Adenosine receptor A2a | ||
Synonyms: | A2A adenosine receptor (hA2A) | AA2AR_HUMAN | ADENOSINE A2 | ADENOSINE A2a | ADORA2 | ADORA2A | Adenosine A2A receptor (A2AAR) | ||
Type: | G Protein-Coupled Receptor (GPCR) | ||
Mol. Mass.: | 44716.46 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P29274 | ||
Residue: | 412 | ||
Sequence: |
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BDBM50364063 | |||
n/a | |||
Name | BDBM50364063 | ||
Synonyms: | CHEMBL1950649 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H30N6O6 | ||
Mol. Mass. | 486.5209 | ||
SMILES | CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC |r,wU:7.12,5.4,28.34,wD:8.8,10.11,25.27,(-2.37,-48.53,;-1.04,-49.31,;.3,-48.55,;1.62,-49.33,;1.61,-50.87,;2.93,-48.59,;2.94,-47.1,;4.43,-46.64,;5.27,-47.83,;6.72,-47.84,;4.37,-49.06,;4.85,-50.53,;4.89,-45.21,;3.96,-43.88,;4.91,-42.6,;6.23,-43.05,;7.53,-42.29,;7.52,-40.78,;8.97,-43.12,;8.97,-44.75,;7.59,-45.54,;6.24,-44.75,;10.31,-45.52,;11.64,-46.29,;12.97,-47.06,;14.3,-46.29,;15.63,-47.07,;16.96,-46.31,;16.97,-44.77,;15.64,-43.99,;14.3,-44.76,;18.31,-44,;18.32,-42.46,;19.64,-44.78,;20.98,-44.02,)| | ||
Structure |