Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50247455
Substrate
n/a
Meas. Tech.
ChEMBL_1677774 (CHEMBL4027917)
Ki
1360±n/a nM
Citation
 Petrelli, R; Scortichini, M; Belardo, C; Boccella, S; Luongo, L; Capone, F; Kachler, S; Vita, P; Del Bello, F; Maione, S; Lavecchia, A; Klotz, KN; Cappellacci, L Structure-Based Design, Synthesis, and In Vivo Antinociceptive Effects of Selective A J Med Chem 61:305-318 (2018) [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:
Human
Description:
P29274
Residue:
412
Sequence:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
  
Inhibitor
Name:
BDBM50247455
Synonyms:
CHEMBL4098408
Type:
Small organic molecule
Emp. Form.:
C16H14Cl2FN5O3
Mol. Mass.:
413.05
SMILES:
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r|
Structure:
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