Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50308566
Substrate
n/a
Meas. Tech.
ChEMBL_613656 (CHEMBL1066999)
Ki
100.4±n/a nM
Citation
 Hierrezuelo, J; Manuel López-Romero, J; Rico, R; Brea, J; Isabel Loza, M; Cai, C; Algarra, M Synthesis of theophylline derivatives and study of their activity as antagonists at adenosine receptors. Bioorg Med Chem 18:2081-8 (2010) [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:
BDBM50308566
Synonyms:
8-(4-(3,6,9,12-tetraoxatricos-22-enyloxy)phenyl)-theophylline | CHEMBL589251
Type:
Small organic molecule
Emp. Form.:
C33H50N4O7
Mol. Mass.:
614.7727
SMILES:
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCOCCOCCOCCOCCCCCCCCCCC=C)cc1
Structure:
Search PDB for entries with ligand similarity: