Reaction Details |
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Target | Adenosine receptor A3 |
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Ligand | BDBM50207816 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2160174 (CHEMBL5044924) |
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Ki | 92±n/a nM |
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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 Chem65:2091-2106 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Adenosine receptor A3 |
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Name: | Adenosine receptor A3 |
Synonyms: | A3 adenosine receptor (hA3) | AA3R_HUMAN | ADORA3 | Adenosine A3 receptor (A3AR) |
Type: | G Protein-Coupled Receptor (GPCR) |
Mol. Mass.: | 36197.32 |
Organism: | Homo sapiens (Human) |
Description: | P0DMS8 |
Residue: | 318 |
Sequence: | MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIA
VGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKR
VTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYF
SFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFA
LSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKAC
VVCHPSDSLDTSIEKNSE
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BDBM50207816 |
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n/a |
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Name | BDBM50207816 |
Synonyms: | CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC) | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC) | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide | N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide | XAC |
Type | Small organic molecule |
Emp. Form. | C21H28N6O4 |
Mol. Mass. | 428.4848 |
SMILES | CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 |
Structure |
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