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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 | CHEMBL274022 |
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Molecular formula | C19H23N5O4 |
IUPAC name | 2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol |
Molecular weight | 385.424 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 2.0 |
Synonyms | ()-N6-(2-Phenylisopropyl)adenosine 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol CTK8H4974 R-N6-(2-phenylisopropyl) adenosine (R-PIa) 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol [ Show all ] |
Inchi Key | RIRGCFBBHQEQQH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) |
PubChem CID | 5022 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50006730 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | <10000.0 nM | PMID10779381, PMID11809867 | PDSP,BindingDB |
Ki | 16.3 nM | PMID9459566 | PDSP,BindingDB |
Ki | 33.88 nM | PMID8234299 | PDSP,BindingDB |
Ki | 44.6 nM | PMID9459566 | PDSP,BindingDB |
Ki | 75.0 nM | PMID10779381 | PDSP,BindingDB |
Ki | 323.59 nM | PMID8234299 | PDSP,BindingDB |
Ki | 520.0 nM | PMID10779381 | PDSP,BindingDB |
Ki | 2300.0 nM | PMID11809867 | PDSP,BindingDB |
Ki | 2500.0 nM | PMID10779381 | PDSP,BindingDB |
Ki | 2600.0 nM | PMID11809867 | PDSP,BindingDB |
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