Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50367265
Substrate
n/a
Meas. Tech.
ChEMBL_862923 (CHEMBL2174887)
Ki
370±n/a nM
Citation
 Tosh, DK; Paoletta, S; Deflorian, F; Phan, K; Moss, SM; Gao, ZG; Jiang, X; Jacobson, KA Structural sweet spot for A1 adenosine receptor activation by truncated (N)-methanocarba nucleosides: receptor docking and potent anticonvulsant activity. J Med Chem 55:8075-90 (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:
BDBM50367265
Synonyms:
BDBM50396917 | CHEMBL1512545 | CHEMBL603401
Type:
Small organic molecule
Emp. Form.:
C28H32N8O6
Mol. Mass.:
576.6037
SMILES:
NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: