Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM474236
Substrate
n/a
Meas. Tech.
Binding Affinities to Different Adenosine Receptors
IC50
46.0±n/a nM
Citation
 Zeng, Q; Qi, C; Tsui, H; Yang, Z; Zhang, X Triazolo-pyrimidine compounds and uses thereof US Patent  US11629147 Publication Date 4/18/2023 
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:
BDBM474236
Synonyms:
7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(1-methyl-1H-benzo[d]imidazol-6-yl)- [1,2,4]triazolo[l,5-c]pyrimidin-5-amine | US10858365, Compound 66 | US11629147, Cmpd. 66
Type:
Small organic molecule
Emp. Form.:
C24H19F2N7O
Mol. Mass.:
459.4508
SMILES:
Cc1c(ccc(=O)n1C)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 |(1.84,.77,;.51,1.54,;-.83,.77,;-2.16,1.54,;-2.16,3.08,;-.83,3.85,;-.83,5.39,;.51,3.08,;1.84,3.85,;-.83,-.77,;-2.16,-1.54,;-2.16,-3.08,;-.83,-3.85,;-.83,-5.39,;.51,-3.08,;1.97,-3.56,;2.88,-2.31,;4.42,-2.31,;5.19,-.98,;4.42,.36,;5.19,1.69,;6.73,1.69,;7.5,.36,;6.73,-.98,;7.5,-2.31,;1.97,-1.06,;.51,-1.54,;-3.49,-.77,;-3.49,.77,;-4.83,1.54,;-6.16,.77,;-7.5,1.54,;-6.16,-.77,;-4.83,-1.54,)|
Structure:
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