Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50393171
Substrate
n/a
Meas. Tech.
ChEMBL_853230 (CHEMBL2154931)
Ki
3270±n/a nM
Citation
 Drabczynska, A; Yuzlenko, O; Köse, M; Paskaleva, M; Schiedel, AC; Karolak-Wojciechowska, J; Handzlik, J; Karcz, T; Kuder, K; Müller, CE; Kiec-Kononowicz, K Synthesis and biological activity of tricyclic cycloalkylimidazo-, pyrimido- and diazepinopurinediones. Eur J Med Chem 46:3590-607 (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:
BDBM50393171
Synonyms:
CHEMBL2153631
Type:
Small organic molecule
Emp. Form.:
C15H21N5O3
Mol. Mass.:
319.3589
SMILES:
Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(9.82,-12.09,;9.82,-10.55,;11.15,-9.79,;12.61,-10.27,;13.51,-9.02,;14.98,-8.56,;14.99,-7.01,;13.53,-6.53,;12.61,-7.77,;11.15,-8.25,;9.82,-7.47,;9.82,-5.93,;8.49,-8.25,;7.15,-7.48,;8.49,-9.79,;7.16,-10.56,;16.31,-9.32,;16.31,-10.86,;17.63,-11.63,;18.97,-10.87,;20.3,-11.64,;18.97,-9.33,;17.64,-8.55,)|
Structure:
Search PDB for entries with ligand similarity: