Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50051241
Substrate
n/a
Meas. Tech.
ChEMBL_587703 (CHEMBL1037717)
Ki
1.2±n/a nM
Citation
 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites. Bioorg Med Chem 17:5259-74 (2009) [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:
BDBM50051241
Synonyms:
2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine | 2-Furan-2-yl-7-(3-phenyl-propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine | 2-Furan-2-yl-7-(3-phenyl-propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 63390) | CHEMBL17121 | SCH-63390
Type:
Small organic molecule
Emp. Form.:
C19H17N7O
Mol. Mass.:
359.3846
SMILES:
Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Structure:
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