Reaction Details  Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50375499
Substrate
n/a
Meas. Tech.
ChEMBL_2160164 (CHEMBL5044914)
Ki
1.2±n/a nM
Citation
 Val, C; Rodríguez-García, C; Prieto-Díaz, R; Crespo, A; Azuaje, J; Carbajales, C; Majellaro, M; Díaz-Holguín, A; Brea, JM; Loza, MI; Gioé-Gallo, C; Contino, M; Stefanachi, A; García-Mera, X; Estévez, JC; Gutiérrez-de-Terán, H; Sotelo, E Optimization of 2-Amino-4,6-diarylpyrimidine-5-carbonitriles as Potent and Selective A J Med Chem 65:2091-2106 (2022) [PubMed]  Article
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:
BDBM50375499
Synonyms:
CHEMBL259319
Type:
Small organic molecule
Emp. Form.:
C24H20N4O3
Mol. Mass.:
412.4406
SMILES:
O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1)C1CCCC1
Structure:
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