Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50176050
Substrate
n/a
Meas. Tech.
ChEMBL_2197332 (CHEMBL5109848)
Ki
12±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]
More Info.:
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:
BDBM50176050
Synonyms:
8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione | 8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione | 8-[2-(3,4-dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,9-dihydro-purine-2,6-dione | CHEMBL431770 | US11806350, Compound Istradefylline | istradefylline
Type:
Small organic molecule
Emp. Form.:
C20H24N4O4
Mol. Mass.:
384.429
SMILES:
CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O