Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50139769
Substrate
n/a
Meas. Tech.
ChEBML_1553861
Ki
86±n/a nM
Citation
 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Discovery of aminoquinazoline derivatives as human A(2A) adenosine receptor antagonists. Bioorg Med Chem Lett 26:1348-54 (2016) [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:
BDBM50139769
Synonyms:
CHEMBL3764006 | US10138212, Example 95
Type:
Small organic molecule
Emp. Form.:
C20H17N5O3S
Mol. Mass.:
407.446
SMILES:
CS(=O)(=O)c1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12
Structure:
Search PDB for entries with ligand similarity: