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Target
Adenosine receptor A2a
Ligand
BDBM50108647
Substrate
n/a
Meas. Tech.
ChEMBL_1506709 (CHEMBL3598725)
Ki
7.7±n/a nM
Citation
 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Use of molecular modeling aided design to dial out hERG liability in adenosine A(2A) receptor antagonists. Bioorg Med Chem Lett 25:2958-62 (2015) [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:
BDBM50108647
Synonyms:
CHEMBL3596512
Type:
Small organic molecule
Emp. Form.:
C23H27N7O2
Mol. Mass.:
433.5062
SMILES:
COc1cccc(c1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r|
Structure:
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