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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 | CHEMBL2064636 |
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Molecular formula | C21H21N7O3 |
IUPAC name | (1S,2R,3S,4R,5S)-2,3-dihydroxy-N-methyl-4-[6-(methylamino)-2-(2-pyridin-2-ylethynyl)purin-9-yl]bicyclo[3.1.0]hexane-1-carboxamide |
Molecular weight | 419.445 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | -0.1 |
Synonyms | BDBM50389131 SCHEMBL10323352 |
Inchi Key | IGSSKYVSKMPGJZ-MXKWNSRKSA-N |
Inchi ID | InChI=1S/C21H21N7O3/c1-22-18-14-19(27-13(26-18)7-6-11-5-3-4-8-24-11)28(10-25-14)15-12-9-21(12,20(31)23-2)17(30)16(15)29/h3-5,8,10,12,15-17,29-30H,9H2,1-2H3,(H,23,31)(H,22,26,27)/t12-,15-,16+,17+,21+/m1/s1 |
PubChem CID | 57523626 |
ChEMBL | CHEMBL2064636 |
IUPHAR | N/A |
BindingDB | 50389131 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Efficacy | 86.8 % | PMID22559880 | ChEMBL |
Ki | 1.0 nM | PMID22559880 | BindingDB |
Ki | 1.0 nM | PMID25422861 | BindingDB |
Ki | 1.01 nM | PMID25422861, PMID22559880 | ChEMBL |
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