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Target
Adenosine receptor A2a
Ligand
BDBM50395549
Substrate
n/a
Meas. Tech.
ChEMBL_859655 (CHEMBL2168892)
Ki
43±n/a nM
Citation
 van Westen, GJ; van den Hoven, OO; van der Pijl, R; Mulder-Krieger, T; de Vries, H; Wegner, JK; Ijzerman, AP; van Vlijmen, HW; Bender, A Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data. J Med Chem 55:7010-20 (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:
BDBM50395549
Synonyms:
CHEMBL1487093
Type:
Small organic molecule
Emp. Form.:
C15H12N4O
Mol. Mass.:
264.282
SMILES:
Nc1nc(nc(n1)-c1ccccc1O)-c1ccccc1
Structure:
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