Reaction Details  Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50163015
Substrate
n/a
Meas. Tech.
ChEMBL_2035422 (CHEMBL4689580)
Ki
510±n/a nM
Citation
 Tosh, DK; Brackett, CM; Jung, YH; Gao, ZG; Banerjee, M; Blagg, BSJ; Jacobson, KA Biological Evaluation of 5'-( ACS Med Chem Lett 12:373-379 (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:
BDBM50163015
Synonyms:
(2R,3R,4S,5R)-2-[6-(2,2-Diphenyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol | CHEMBL193692
Type:
Small organic molecule
Emp. Form.:
C24H25N5O4
Mol. Mass.:
447.4864
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12
Structure:
Search PDB for entries with ligand similarity: