Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50119168
Substrate
n/a
Meas. Tech.
ChEMBL_805333 (CHEMBL1955226)
Ki
5.7±n/a nM
Citation
 Deflorian, F; Kumar, TS; Phan, K; Gao, ZG; Xu, F; Wu, H; Katritch, V; Stevens, RC; Jacobson, KA Evaluation of molecular modeling of agonist binding in light of the crystallographic structure of an agonist-bound A2A adenosine receptor. J Med Chem 55:538-52 (2012) [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:
BDBM50119168
Synonyms:
(2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol | (2R,3R,4S,5R)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol | (2R,3R,4S,5R)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | 2-(l-hexyn-l-yl)adenosine (7) | CHEMBL319387
Type:
Small organic molecule
Emp. Form.:
C16H21N5O4
Mol. Mass.:
347.369
SMILES:
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Structure:
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