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Details for Substrate BDBM35804 without Explicit Binding Affinity Data
Binding Enzyme 1: Adenosine receptor A2a
Synonyms:  (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid | 2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine | 2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine | 2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine | 3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid | 3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid | 3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid | CGS 21680 | CGS-21680 | CHEMBL331372 | [3H]-CGS 21680
Type: radiolabeled ligand
Emp. Form.: C23H29N7O6
Mol. Mass.: 499.5197 g/mol
SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Structure:  Courtesy of Chemaxon Inc.
  
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