Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50205709
Substrate
n/a
Meas. Tech.
ChEMBL_2119775 (CHEMBL4828922)
Ki
1040±n/a nM
Citation
 Bednarska-Szczepaniak, K; Mieczkowski, A; Kierozalska, A; Pavlovi? Safti?, D; G??ba?a, K; Przygodzki, T; Sta?czyk, L; Karolczak, K; Wata?a, C; Rao, H; Gao, ZG; Jacobson, KA; Le?nikowski, ZJ Synthesis and evaluation of adenosine derivatives as A Eur J Med Chem 223:0 (2021) [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:
BDBM50205709
Synonyms:
(2R,3R,4S,5R)-2-(6-amino-2-(phenylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | (3R,4S,5R)-2-((R)-6-amino-2-phenylethynyl-9H-purin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol | CHEMBL375190
Type:
Small organic molecule
Emp. Form.:
C18H17N5O4
Mol. Mass.:
367.3587
SMILES:
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1
Structure:
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