Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50210809
Substrate
n/a
Meas. Tech.
ChEMBL_1635281 (CHEMBL3878179)
Ki
7.2±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:
BDBM50210809
Synonyms:
CHEMBL3951351
Type:
Small organic molecule
Emp. Form.:
C22H22ClN3O2
Mol. Mass.:
395.882
SMILES:
O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.81,-7.65,;24.48,-8.43,;23.14,-7.67,;21.81,-8.45,;21.83,-9.99,;23.17,-10.75,;24.49,-9.97,;20.5,-10.77,;20.51,-12.31,;21.85,-13.07,;21.86,-14.61,;20.53,-15.39,;20.54,-16.93,;21.88,-17.69,;21.9,-19.23,;20.57,-20.01,;20.58,-21.55,;19.24,-19.25,;17.9,-20.04,;19.22,-17.71,;19.2,-14.63,;19.19,-13.09,;17.87,-15.42,;16.52,-14.65,;15.2,-15.43,;15.21,-16.97,;16.55,-17.73,;17.88,-16.96,)|
Structure:
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