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Target
Adenosine receptor A2a
Ligand
BDBM50238384
Substrate
n/a
Meas. Tech.
ChEBML_1663191
Ki
5.1±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:
BDBM50238384
Synonyms:
CHEMBL4059885
Type:
Small organic molecule
Emp. Form.:
C20H15N5O2
Mol. Mass.:
357.3654
SMILES:
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(OCC#C)c1
Structure:
Search PDB for entries with ligand similarity: