Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM479527
Substrate
n/a
Meas. Tech.
Binding Affinities to Different Adenosine Receptors
IC50
0.900±n/a nM
Citation
 Qi, C; Tsui, H; Zeng, Q; Yang, Z; Zhang, X Pyrazine compounds and uses thereof US Patent  US11571420 Publication Date 2/7/2023 
Target
Name:
Adenosine receptor A1
Synonyms:
A1 adenosine receptor (hA1) | A1AR | AA1R_HUMAN | ADENOSINE A1 | ADORA1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36520.92
Organism:
Homo sapiens (Human)
Description:
P30542
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
  
Inhibitor
Name:
BDBM479527
Synonyms:
3-amino-5-(4-fluorophenyl)-6-(3- methyl-3H-benzo[d]imidazol-5-yl)-N- ((3-(2-(methylamino)ethoxy)pyridin-2-yl) methyl)pyrazine-2-carboxamide | US10898481, Compound 115 | US11571420, Compound 115
Type:
Small organic molecule
Emp. Form.:
C28H27FN8O2
Mol. Mass.:
526.5648
SMILES:
CNCCOc1cccnc1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(nc1N)-c1ccc(F)cc1
Structure:
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