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Name | Adenosine receptor A3 |
---|---|
Species | Homo sapiens (Human) |
Gene | ADORA3 |
Synonym | ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1 |
Disease | Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection [ Show all ] |
Length | 318 |
Amino acid sequence | MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE |
UniProt | P0DMS8 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | T36059 |
ChEMBL | CHEMBL256 |
IUPHAR | 21 |
DrugBank | BE0000354 |
Name | CHEMBL118679 |
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Molecular formula | C15H11N5O2 |
IUPAC name | 2-(4-aminophenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione |
Molecular weight | 293.286 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 1.3 |
Synonyms | BDBM50149373 2-(4-Aminophenyl)[1,2,4]triazolo[4,3-a]quinoxaline-1,4(2H,5H)-dione 2-(4-Amino-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione |
Inchi Key | AOSIIYWGYQNPBJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C15H11N5O2/c16-9-5-7-10(8-6-9)20-15(22)19-12-4-2-1-3-11(12)17-14(21)13(19)18-20/h1-8H,16H2,(H,17,21) |
PubChem CID | 10756111 |
ChEMBL | CHEMBL118679 |
IUPHAR | N/A |
BindingDB | 50149373 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 3600.0 nM | PMID15214785 | BindingDB,ChEMBL |
Log Ki | 2.444 mM | PMID15993066 | ChEMBL |
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