You can:
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 | CHEMBL98678 |
---|---|
Molecular formula | C16H11ClN4O2 |
IUPAC name | 8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one |
Molecular weight | 326.74 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | BDBM50039959 8-Chloro-2-(4-methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one 2-(4-Methoxyphenyl)-8-chloro[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one 8-chloro-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one |
Inchi Key | CRNSVOSEEIHNQB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H11ClN4O2/c1-23-11-5-2-9(3-6-11)14-19-15-16(22)18-12-7-4-10(17)8-13(12)21(15)20-14/h2-8H,1H3,(H,18,22) |
PubChem CID | 10449090 |
ChEMBL | CHEMBL98678 |
IUPHAR | N/A |
BindingDB | 50039959 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 25.8 nM | PMID16335918 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218