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Name | Adenosine receptor A3 |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Adora3 |
Synonym | A3 receptor A3AR Adenosine receptor A3 ARA3 TGPCR1 |
Disease | N/A for non-human GPCRs |
Length | 320 |
Amino acid sequence | MKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALADIAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILRACRLCQTSDSLDSNLEQTTE |
UniProt | P28647 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3360 |
IUPHAR | 21 |
DrugBank | N/A |
Name | CHEMBL112669 |
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Molecular formula | C25H33N7O7 |
IUPAC name | 2-[[2-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethylamino]-2-oxoethyl]amino]acetic acid |
Molecular weight | 543.581 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 5 |
XlogP | -0.1 |
Synonyms | {[(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethylcarbamoyl)-methyl]-amino}-acetic acid BDBM50037438 [[2-[[2-[[2-[4-[(1,3-Dipropyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-8-yl]phenoxy]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetic acid |
Inchi Key | DLIFOYBZSVXZFZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H33N7O7/c1-3-11-31-23-21(24(37)32(12-4-2)25(31)38)29-22(30-23)16-5-7-17(8-6-16)39-15-19(34)28-10-9-27-18(33)13-26-14-20(35)36/h5-8,26H,3-4,9-15H2,1-2H3,(H,27,33)(H,28,34)(H,29,30)(H,35,36) |
PubChem CID | 10392599 |
ChEMBL | CHEMBL112669 |
IUPHAR | N/A |
BindingDB | 50037438 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 98000.0 nM | PMID7932565 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417