Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50092289
Substrate
n/a
Meas. Tech.
ChEMBL_1499918 (CHEMBL3583512)
Ki
>1000±n/a nM
Citation
 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K One-pot reaction to obtain N,N'-disubstituted guanidines of pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine scaffold as human A3 adenosine receptor antagonists. J Med Chem 58:5355-60 (2015) [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:
BDBM50092289
Synonyms:
CHEMBL3581305
Type:
Small organic molecule
Emp. Form.:
C24H17N11O5
Mol. Mass.:
539.4625
SMILES:
[#6]-n1cc2c(n1)nc(\[#7]=[#6](/[#7]-c1ccc(cc1)-[#7+](-[#8-])=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O)n1nc(nc21)-c1ccco1
Structure:
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