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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 | CHEMBL276830 |
---|---|
Molecular formula | C13H13N5O2 |
IUPAC name | 8-(4-aminophenyl)-1,3-dimethyl-7H-purine-2,6-dione |
Molecular weight | 271.28 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 1.5 |
Synonyms | SCHEMBL7318169 BDBM50020852 PDSP1_001020 8-(4-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione PDSP2_001004 [ Show all ] |
Inchi Key | LWDNIXPAGBUFTP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,14H2,1-2H3,(H,15,16) |
PubChem CID | 13525058 |
ChEMBL | CHEMBL276830 |
IUPHAR | N/A |
BindingDB | 50020852 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1.8 nM | PMID3806606 | BindingDB,ChEMBL |
Ki | 65.2 nM | PMID3010074 | BindingDB |
Ki | 230.0 nM | PMID2984420 | BindingDB,ChEMBL |
PCY | 4.7 - | PMID3806606 | ChEMBL |
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