Reaction Details |
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Target | Adenosine receptor A3 |
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Ligand | BDBM50591158 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2199480 (CHEMBL5111996) |
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Kd | 13±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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BDBM50591158 |
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n/a |
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Name | BDBM50591158 |
Synonyms: | CHEMBL5181728 |
Type | Small organic molecule |
Emp. Form. | C22H19N5O3 |
Mol. Mass. | 401.418 |
SMILES | COc1cc(Nc2nc(cc3c(n[nH]c23)-c2ccccc2)C#N)cc(OC)c1OC |
Structure |
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