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Target
Adenosine receptor A2a
Ligand
BDBM21220
Substrate
n/a
Meas. Tech.
ChEMBL_1663191 (CHEMBL4012872)
Ki
16±n/a nM
Citation
 Falsini, M; Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Dal Ben, D; Marucci, G; Buccioni, M; Volpini, R; De Vita, T; Cavalli, A; Colotta, V The 1,2,4-Triazolo[4,3-a]pyrazin-3-one as a Versatile Scaffold for the Design of Potent Adenosine Human Receptor Antagonists. Structural Investigations to Target the A J Med Chem 60:5772-5790 (2017) [PubMed]  Article 
Target
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:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
  
Inhibitor
Name:
BDBM21220
Synonyms:
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide | Adenosine analog, 3 | Adenosine, N6-Ethyl-carboxamido | Adenosine-5-(N-ethylcarboxamide) | CHEMBL464859 | N-Ethylcarboxamidoadenosine | NECA
Type:
Antineoplastic Agent
Emp. Form.:
C12H16N6O4
Mol. Mass.:
308.2932
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Structure:
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