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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 | CHEMBL202722 |
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Molecular formula | C25H24N6O5 |
IUPAC name | (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(4-phenylbenzoyl)amino]purin-9-yl]oxolane-2-carboxamide |
Molecular weight | 488.504 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 1.9 |
Synonyms | BDBM50179025 N-[(1,1'-Biphenyl-4-yl)carbonyl]-5'-(ethylamino)-5'-oxo-5'-deoxyadenosine (2S,3S,4R,5R)-5-{6-[(Biphenyl-4-carbonyl)-amino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-carboxylicacid ethylamide |
Inchi Key | FBMOMQNCWCOOAE-PBQROFAYSA-N |
Inchi ID | InChI=1S/C25H24N6O5/c1-2-26-24(35)20-18(32)19(33)25(36-20)31-13-29-17-21(27-12-28-22(17)31)30-23(34)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,18-20,25,32-33H,2H2,1H3,(H,26,35)(H,27,28,30,34)/t18-,19+,20-,25+/m0/s1 |
PubChem CID | 10529007 |
ChEMBL | CHEMBL202722 |
IUPHAR | N/A |
BindingDB | 50179025 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 979.0 nM | PMID9703463, PMID15990306, PMID16356715 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417