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Name | Adenosine receptor A3 |
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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 | NSC157267 |
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Molecular formula | C13H16ClNO2 |
IUPAC name | (E)-3-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)prop-2-enamide |
Molecular weight | 253.726 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 2 |
XlogP | 2.3 |
Synonyms | NSC-157267 (E)-3-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)prop-2-enamide AC1O3OFM CHEMBL3884786 AKOS005832485 |
Inchi Key | PRRQIMZFWXXIRY-VMPITWQZSA-N |
Inchi ID | InChI=1S/C13H16ClNO2/c1-2-12(9-16)15-13(17)8-5-10-3-6-11(14)7-4-10/h3-8,12,16H,2,9H2,1H3,(H,15,17)/b8-5+ |
PubChem CID | 6310476 |
ChEMBL | CHEMBL3884786 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Inhibition | 52.5 % | PMID27876250 | ChEMBL |
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