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Name | Adenosine receptor A1 |
---|---|
Species | Cavia porcellus (Guinea pig) |
Gene | ADORA1 |
Synonym | N/A |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD |
UniProt | P47745 |
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 | CHEMBL2304404 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL77323 |
---|---|
Molecular formula | C20H24N4O3 |
IUPAC name | 8-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione |
Molecular weight | 368.437 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | BDBM50006700 SCHEMBL8374085 1,3-Dipropyl-8-[(E)-2-(4-methoxyphenyl)ethenyl]xanthine 8-[2-(4-Methoxy-phenyl)-vinyl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione |
Inchi Key | BBEXVXMDRRFCIG-DHZHZOJOSA-N |
Inchi ID | InChI=1S/C20H24N4O3/c1-4-12-23-18-17(19(25)24(13-5-2)20(23)26)21-16(22-18)11-8-14-6-9-15(27-3)10-7-14/h6-11H,4-5,12-13H2,1-3H3,(H,21,22)/b11-8+ |
PubChem CID | 15170858 |
ChEMBL | CHEMBL77323 |
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 |
---|---|---|---|
Ki | <100000.0 nM | PMID1613758 | ChEMBL |
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