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Name | Adenosine receptor A1 |
---|---|
Species | Bos taurus (Bovine) |
Gene | ADORA1 |
Synonym | N/A |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD |
UniProt | P28190 |
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 | CHEMBL4975 |
IUPHAR | N/A |
DrugBank | N/A |
Name | Xanthine amine congener |
---|---|
Molecular formula | C21H28N6O4 |
IUPAC name | N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide |
Molecular weight | 428.493 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 2.7 |
Synonyms | SR-01000075243-1 Xanthine, 8-[4-[(2-aminoethyl)aminocarbonyl]methoxyphenyl]-1,3-dipropyl AC1Q5PIP D0H9BP Lopac0_001279 [ Show all ] |
Inchi Key | FIQGIOAELHTLHM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) |
PubChem CID | 5697 |
ChEMBL | CHEMBL273094 |
IUPHAR | 432, 404 |
BindingDB | 50207816 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 0.03 nM | PMID2067592 | PDSP,BindingDB |
Ki | 0.08 nM | PMID2825043 | PDSP,BindingDB |
Ki | 0.2 nM | PMID2825043 | PDSP,BindingDB |
Ki | 0.3 nM | PMID2709373 | BindingDB |
Ki | 0.3 nM | PMID2709373 | ChEMBL |
Ki | 1.3 nM | PMID10956189, PMID12383013 | BindingDB,ChEMBL |
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