Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM21197
Substrate
BDBM21190
Meas. Tech.
Receptor Binding Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
170±10 nM
Citation
 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J 2-Amino-N-pyrimidin-4-ylacetamides as A2A Receptor Antagonists: 2. Reduction of hERG Activity, Observed Species Selectivity, and Structure-Activity Relationships. J Med Chem 51:1730-9 (2008) [PubMed]  Article 
Target
Name:
Adenosine receptor A2a
Synonyms:
AA2AR_RAT | ADENOSINE A2a | Adenosine A2 receptor | Adenosine A2a receptor (A2a) | Adenosine Receptors A2a (A2a) | Adenosine receptor A2a and A3 | Adenosine receptors A2a | Adora2a | Rat striatal adenosine A2a receptor
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
45015.65
Organism:
Rattus norvegicus (rat)
Description:
Rat A2A receptors expressed in CHO cells.
Residue:
410
Sequence:
MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
  
Inhibitor
Name:
BDBM21197
Synonyms:
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-acetylpiperazin-1-yl)acetamide | Pyrimidin-4-ylacetamide, 8
Type:
Small organic molecule
Emp. Form.:
C22H27N7O3
Mol. Mass.:
437.4949
SMILES:
CC(=O)N1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
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: