| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine receptor A3 |
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| Ligand | BDBM50591172 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2199514 (CHEMBL5112030) |
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| Kd | 0.460000±n/a nM |
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| Citation |  Stampelou, M; Suchankova, A; Tzortzini, E; Dhingra, L; Barkan, K; Lougiakis, N; Marakos, P; Pouli, N; Ladds, G; Kolocouris, A Dual A1/A3 Adenosine Receptor Antagonists: Binding Kinetics and Structure-Activity Relationship Studies Using Mutagenesis and Alchemical Binding Free Energy Calculations. J Med Chem65:13305-13327 (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 |
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| Synonyms: | A3 adenosine receptor (hA3) | AA3R_HUMAN | ADORA3 | Adenosine A3 receptor (A3AR) |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 36197.32 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P0DMS8 |
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| Residue: | 318 |
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| Sequence: | MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIA
VGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKR
VTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYF
SFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFA
LSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKAC
VVCHPSDSLDTSIEKNSE
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| BDBM50591172 |
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| n/a |
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| Name | BDBM50591172 |
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| Synonyms: | CHEMBL5178790 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H19N5O |
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| Mol. Mass. | 297.355 |
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| SMILES | CC[C@@H]1CN2C(=N1)C1NC(=NC1N(C)C2=O)c1ccccc1 |r,c:5,10| |
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| Structure | 
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