Reaction Details  Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50590609
Substrate
n/a
Meas. Tech.
ChEMBL_2197332 (CHEMBL5109848)
Ki
>10000±n/a nM
Citation
 Bolteau, R; Duroux, R; Laversin, A; Vreulz, B; Shiriaeva, A; Stauch, B; Han, GW; Cherezov, V; Renault, N; Barczyk, A; Ravez, S; Coevoet, M; Melnyk, P; Liberelle, M; Yous, S High ligand efficiency quinazoline compounds as novel A Eur J Med Chem 241:0 (2022) [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:
BDBM50590609
Synonyms:
CHEMBL5183199
Type:
Small organic molecule
Emp. Form.:
C16H15N3
Mol. Mass.:
249.3104
SMILES:
Cc1cccc(C)c1-c1nc(N)nc2ccccc12 |(-2,.77,;-.67,1.54,;-.67,3.08,;.67,3.85,;2,3.08,;2,1.54,;3.33,.77,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;.67,-3.85,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,)|
Structure:
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