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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 | CHEMBL164039 |
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Molecular formula | C24H29NO4S2 |
IUPAC name | ethyl 6-(2-acetylsulfanylethyl)-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate |
Molecular weight | 459.619 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 5.6 |
Synonyms | BDBM50074232 6-(2-Acetylsulfanyl-ethyl)-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-nicotinic acid ethyl ester |
Inchi Key | AGVUBFBBRYYSDN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H29NO4S2/c1-5-11-18-20(24(28)30-7-3)19(14-15-31-16(4)26)25-22(17-12-9-8-10-13-17)21(18)23(27)29-6-2/h8-10,12-13H,5-7,11,14-15H2,1-4H3 |
PubChem CID | 9804259 |
ChEMBL | CHEMBL164039 |
IUPHAR | N/A |
BindingDB | 50074232 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 193.0 nM | PMID10052977 | BindingDB,ChEMBL |
Log Ki | 6.71 uM | PMID10052977 | ChEMBL |
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