Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50064913
Substrate
n/a
Meas. Tech.
ChEMBL_1465353 (CHEMBL3406909)
Ki
>6000±n/a nM
Citation
 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B Synthesis and SAR studies of analogues of 4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-N-thiazol-2-yl-benzamide (Lu AA41063) as adenosine A2A receptor ligands with improved aqueous solubility. Bioorg Med Chem Lett 25:1212-6 (2015) [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:
BDBM50064913
Synonyms:
CHEMBL3401294
Type:
Small organic molecule
Emp. Form.:
C16H21N3OS
Mol. Mass.:
303.422
SMILES:
CC(C)(C)CC(=O)Nc1ccc(CNc2nccs2)cc1
Structure:
Search PDB for entries with ligand similarity: