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Name | Adenosine receptor A1 |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Adora1 |
Synonym | A1 receptor A1-AR A1R adenosine receptor A1 RDC7 |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED |
UniProt | P25099 |
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 | CHEMBL318 |
IUPHAR | 18 |
DrugBank | N/A |
Name | PACPX |
---|---|
Molecular formula | C17H20ClN5O2 |
IUPAC name | 8-(2-amino-4-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione |
Molecular weight | 361.83 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | 1H-Purine-2,6-dione, 8-(2-amino-4-chlorophenyl)-3,7-dihydro-1,3-dipropyl AC1Q3SH2 DTXSID90235182 PDSP2_000977 8-(2-amino-4-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione [ Show all ] |
Inchi Key | SENJBFBVCXOUFE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21) |
PubChem CID | 92411 |
ChEMBL | CHEMBL273671 |
IUPHAR | N/A |
BindingDB | 82013 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1e+14 nM | PMID2991519 | ChEMBL |
Ki | 2.5 nM | PMID2984420, PMID3016270, PMID1738138 | BindingDB,ChEMBL |
Ki | 2.51 nM | PMID3010074 | BindingDB |
Ki | 4.8 nM | PMID2342066 | BindingDB,ChEMBL |
Ki | 6.8 nM | PMID2997628 | BindingDB |
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