Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50517299
Substrate
n/a
Meas. Tech.
ChEMBL_1868859 (CHEMBL4369925)
Ki
3550±n/a nM
Citation
 Tosh, DK; Rao, H; Bitant, A; Salmaso, V; Mannes, P; Lieberman, DI; Vaughan, KL; Mattison, JA; Rothwell, AC; Auchampach, JA; Ciancetta, A; Liu, N; Cui, Z; Gao, ZG; Reitman, ML; Gavrilova, O; Jacobson, KA Design and in Vivo Characterization of A J Med Chem 62:1502-1522 (2019) [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:
BDBM50517299
Synonyms:
CHEMBL4533718
Type:
Small organic molecule
Emp. Form.:
C19H27N5O4
Mol. Mass.:
389.4488
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: