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Target
Adenosine receptor A2a
Ligand
BDBM6643
Substrate
n/a
Meas. Tech.
ChEMBL_859655 (CHEMBL2168892)
Ki
31000±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:
BDBM6643
Synonyms:
2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrile | 4-Aryl-2-aminopyridine deriv. 10
Type:
Small organic molecule
Emp. Form.:
C15H10N4O3
Mol. Mass.:
294.2649
SMILES:
COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
Structure:
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