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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 | CHEMBL313780 |
---|---|
Molecular formula | C17H24N4O2 |
IUPAC name | 8-(dicyclopropylmethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione |
Molecular weight | 316.405 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.2 |
Synonyms | BDBM50004586 8-Dicyclopropylmethyl-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione 8-Dicyclopropylmethyl-3-isobutyl-1-methylxanthine |
Inchi Key | GKLKHJBKPRFKON-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H24N4O2/c1-9(2)8-21-15-13(16(22)20(3)17(21)23)18-14(19-15)12(10-4-5-10)11-6-7-11/h9-12H,4-8H2,1-3H3,(H,18,19) |
PubChem CID | 15667112 |
ChEMBL | CHEMBL313780 |
IUPHAR | N/A |
BindingDB | 50004586 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 12.0 nM | PMID1501234, PMID1992150, PMID8355252 | BindingDB,ChEMBL |
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