Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50580280
Substrate
n/a
Meas. Tech.
ChEMBL_2148006 (CHEMBL5032352)
Ki
6.0±n/a nM
Citation
 Yan, W; Ling, L; Wu, Y; Yang, K; Liu, R; Zhang, J; Zhao, S; Zhong, G; Zhao, S; Jiang, H; Xie, C; Cheng, 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:
BDBM50580280
Synonyms:
CHEMBL5087206
Type:
Small organic molecule
Emp. Form.:
C20H22N8O4
Mol. Mass.:
438.4399
SMILES:
Nc1nc(NCCc2ccc(OCCCC(=O)NO)cc2)nc2nc(nn12)-c1ccco1
Structure:
Search PDB for entries with ligand similarity: