Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM26254
Substrate
BDBM21190
Meas. Tech.
Receptor Binding Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
0.72±0.13 nM
Citation
 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Lead Optimization of 4-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A Adenosine Receptor Antagonists for the Treatment of Parkinson's Disease. J Med Chem 51:7099-7110 (2008) [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:
BDBM26254
Synonyms:
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-methoxyethyl)(methyl)amino]pyridin-2-yl}pyrimidin-4-yl]acetamide | pyrazolylpyrimidine derivative, 16h
Type:
Small organic molecule
Emp. Form.:
C20H25N7O2
Mol. Mass.:
395.4582
SMILES:
COCCN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21190
Synonyms:
4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol | CHEMBL113142 | ZM 241385 | ZM241385 | [3H]-ZM241385
Type:
Small organic molecule
Emp. Form.:
C16H15N7O2
Mol. Mass.:
337.336
SMILES:
Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Structure:
Search PDB for entries with ligand similarity: