Target
Adenosine receptor A2a
Ligand
BDBM50341199
Substrate
n/a
Meas. Tech.
ChEMBL_740588 (CHEMBL1764851)
Ki
52±n/a nM
Citation
 Firooznia, FCheung, AWBrinkman, JGrimsby, JGubler, MLHamid, RMarcopulos, NRamsey, GTan, JWen, YSarabu, R Discovery of benzothiazole-based adenosine A2B receptor antagonists with improved A2A selectivity. Bioorg Med Chem Lett 21:1933-6 (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:
BDBM50341199
Synonyms:
CHEMBL1760898 | cis-N-(4-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-ylcarbamoyl)cyclohexyl)-3-(trifluoromethyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C27H29F3N4O4S
Mol. Mass.:
562.604
SMILES:
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,21.24,(-10.24,-4.6,;-10.24,-3.06,;-8.91,-2.29,;-7.57,-3.06,;-6.24,-2.29,;-7.57,-4.6,;-8.91,-.75,;-10.24,.02,;-10.24,1.56,;-8.91,2.33,;-8.91,3.87,;-7.58,4.65,;-7.57,1.57,;-6.1,2.05,;-5.19,.8,;-3.65,.8,;-2.88,2.13,;-3.65,3.46,;-1.34,2.14,;-.57,.8,;.96,.8,;1.74,2.13,;.97,3.47,;-.58,3.47,;3.28,2.12,;4.04,.79,;3.27,-.55,;5.57,.79,;6.33,-.53,;7.86,-.52,;8.62,.81,;7.84,2.13,;6.32,2.12,;8.61,3.47,;10.15,3.48,;7.83,4.8,;9.37,4.81,;-6.1,-.46,;-7.57,.02,)|
Structure:
Search PDB for entries with ligand similarity: