Target
Adenosine receptor A2a
Ligand
BDBM50580311
Substrate
n/a
Meas. Tech.
ChEMBL_2148006 (CHEMBL5032352)
Ki
2.8±n/a nM
Citation
 Yan, WLing, LWu, YYang, KLiu, RZhang, JZhao, SZhong, GZhao, SJiang, HXie, CCheng, J Structure-Based Design of Dual-Acting Compounds Targeting Adenosine A J Med Chem 64:16573-16597 (2021) [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:
BDBM50580311
Synonyms:
CHEMBL5089891
Type:
Small organic molecule
Emp. Form.:
C25H20FN9O2
Mol. Mass.:
497.4838
SMILES:
Nc1cc(F)ccc1NC(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Structure:
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