You can:
Name | Adenosine receptor A3 |
---|---|
Species | Mus musculus (Mouse) |
Gene | Adora3 |
Synonym | A3 receptor A3AR Adenosine receptor A3 ARA3 TGPCR1 |
Disease | N/A for non-human GPCRs |
Length | 319 |
Amino acid sequence | MEADNTTETDWLNITYITMEAAIGLCAVVGNMLVIWVVKLNPTLRTTTVYFIVSLALADIAVGVLVIPLAIAVSLQVKMHFYACLFMSCVLLIFTHASIMSLLAIAVHRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKATLASSQNSSTLLCHFRSVVSLDYMVFFSFITWILVPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFDVKIPDVAMCLGILLSHANSMMNPIVYACKIKKFKETYFLILRAVRLCQTSDSLDSNMEQTTE |
UniProt | Q61618 |
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 | CHEMBL1075269 |
IUPHAR | 21 |
DrugBank | N/A |
Name | CHEMBL2089346 |
---|---|
Molecular formula | C27H25N5O2 |
IUPAC name | (1R,2R,3S,4R,5S)-4-[6-(2-phenylethylamino)-2-(2-phenylethynyl)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol |
Molecular weight | 451.53 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 3.5 |
Synonyms | BDBM50420427 |
Inchi Key | FYDDTVMINURRAI-IRYUZJHDSA-N |
Inchi ID | InChI=1S/C27H25N5O2/c33-24-20-15-19(20)23(25(24)34)32-16-29-22-26(28-14-13-18-9-5-2-6-10-18)30-21(31-27(22)32)12-11-17-7-3-1-4-8-17/h1-10,16,19-20,23-25,33-34H,13-15H2,(H,28,30,31)/t19-,20+,23+,24+,25-/m0/s1 |
PubChem CID | 70697511 |
ChEMBL | CHEMBL2089346 |
IUPHAR | N/A |
BindingDB | 50420427 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Efficacy | 14.3 % | PMID23789857 | ChEMBL |
Emax | 7.0 % | PMID23789857 | ChEMBL |
Ki | 480.0 nM | PMID23789857 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417