Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50342518
Substrate
n/a
Meas. Tech.
ChEMBL_744656 (CHEMBL1772677)
Ki
15.1±n/a nM
Citation
 Kumar, TS; Mishra, S; Deflorian, F; Yoo, LS; Phan, K; Kecskés, M; Szabo, A; Shinkre, B; Gao, ZG; Trenkle, W; Jacobson, KA Molecular probes for the A2A adenosine receptor based on a pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine scaffold. Bioorg Med Chem Lett 21:2740-5 (2011) [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:
BDBM50342518
Synonyms:
(Z)-3-(4-((1-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)-2,10,17-trioxo-3,6,9,16-tetraazaoctadecan-18-yl)oxy)styryl)-5,5-difluoro-8-(1Hpyrrol-2-yl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide | CHEMBL1770170
Type:
Small organic molecule
Emp. Form.:
C54H57BF2N14O6
Mol. Mass.:
1046.928
SMILES:
Nc1nc2n(CCCc3ccc(OCC(=O)NCCNCCNC(=O)CCCCCNC(=O)COc4ccc([CH+]\C=c5\ccc6=Cc7ccc(-c8ccc[nH]8)n7[B-](F)(F)n56)cc4)cc3)ncc2c2nc(nn12)-c1ccco1 |t:44|
Structure:
Search PDB for entries with ligand similarity: