Reaction Details |
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Target | Adenosine receptor A3 |
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Ligand | BDBM85618 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2199518 (CHEMBL5112034) |
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Kd | 0.550000±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 |
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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BDBM85618 |
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n/a |
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Name | BDBM85618 |
Synonyms: | CHEMBL302765 | J1.251.181G | MRE 3008F20 |
Type | Small organic molecule |
Emp. Form. | C21H20N8O3 |
Mol. Mass. | 432.4353 |
SMILES | CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 |
Structure |
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