Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50210817
Substrate
n/a
Meas. Tech.
ChEMBL_1635281 (CHEMBL3878179)
Ki
65±n/a nM
Citation
 Alachouzos, G; Lenselink, EB; Mulder-Krieger, T; de Vries, H; IJzerman, AP; Louvel, J Synthesis and evaluation of N-substituted 2-amino-4,5-diarylpyrimidines as selective adenosine A Eur J Med Chem 125:586-602 (2017) [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:
BDBM50210817
Synonyms:
CHEMBL3966761
Type:
Small organic molecule
Emp. Form.:
C24H26N4O
Mol. Mass.:
386.4894
SMILES:
O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(24.41,-7.47,;23.08,-8.25,;21.74,-7.49,;20.41,-8.27,;20.43,-9.81,;21.77,-10.57,;23.09,-9.79,;19.1,-10.59,;19.11,-12.13,;20.45,-12.9,;20.46,-14.44,;19.13,-15.21,;19.14,-16.75,;17.82,-17.53,;17.84,-19.07,;19.17,-19.83,;20.5,-19.06,;20.48,-17.52,;21.84,-19.81,;22.62,-21.13,;23.38,-19.79,;17.8,-14.45,;17.79,-12.91,;16.47,-15.24,;15.12,-14.48,;13.8,-15.25,;13.81,-16.79,;15.15,-17.56,;16.48,-16.78,)|
Structure:
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