Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50580293
Substrate
n/a
Meas. Tech.
ChEMBL_2148006 (CHEMBL5032352)
Ki
4.2±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:
BDBM50580293
Synonyms:
CHEMBL5086791
Type:
Small organic molecule
Emp. Form.:
C21H23N9O3
Mol. Mass.:
449.4658
SMILES:
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCc2ccc(cc2)C(=O)NO)CC1
Structure:
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