Reaction Details |
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Target | Adenosine receptor A3 |
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Ligand | BDBM50109439 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_302754 (CHEMBL838701) |
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Ki | 0.43±n/a nM |
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Citation | Moro, S; Braiuca, P; Deflorian, F; Ferrari, C; Pastorin, G; Cacciari, B; Baraldi, PG; Varani, K; Borea, PA; Spalluto, G Combined target-based and ligand-based drug design approach as a tool to define a novel 3D-pharmacophore model of human A3 adenosine receptor antagonists: pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as a key study. J Med Chem48:152-62 (2005) [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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BDBM50109439 |
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n/a |
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Name | BDBM50109439 |
Synonyms: | 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-chloro-phenyl)-urea | 1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-chlorophenyl)urea | CHEMBL424161 |
Type | Small organic molecule |
Emp. Form. | C21H19ClN8O2 |
Mol. Mass. | 450.881 |
SMILES | CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 |
Structure |
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