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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 | 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 | PDSP1_001020 8-(4-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione PDSP2_001004 8-(4-Aminophenyl)theophylline SCHEMBL7318169 [ 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 | 1.75 nM | PMID2991519 | ChEMBL |
IC50 | 1.8 nM | PMID2991519 | BindingDB |
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