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Name | Adenosine receptor A1 |
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Species | Homo sapiens (Human) |
Gene | ADORA1 |
Synonym | RDC7 A1 receptor A1-AR A1R adenosine receptor A1 |
Disease | Cardiac arrhythmias Hypertension Cardiac disease Cognitive disorders Diabetes [ Show all ] |
Length | 326 |
Amino acid sequence | MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD |
UniProt | P30542 |
Protein Data Bank | 6d9h, 5n2s |
GPCR-HGmod model | P30542 |
3D structure model | This structure is from PDB ID 6d9h. |
BioLiP | BL0385576, BL0417675 |
Therapeutic Target Database | T88714, T92072 |
ChEMBL | CHEMBL226 |
IUPHAR | 18 |
DrugBank | BE0000013 |
Name | 8-Phenyltheophylline |
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Molecular formula | C13H12N4O2 |
IUPAC name | 1,3-dimethyl-8-phenyl-7H-purine-2,6-dione |
Molecular weight | 256.265 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 2.2 |
Synonyms | I14-22476 MolPort-002-605-303 NSC 14127 PDSP2_000320 T8323 [ Show all ] |
Inchi Key | PJFMAVHETLRJHJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) |
PubChem CID | 1922 |
ChEMBL | CHEMBL62350 |
IUPHAR | N/A |
BindingDB | 82015 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Affinity constant | 0.2 uM | PMID6279840 | ChEMBL |
IC50 | 1340.0 nM | PMID11170626 | BindingDB,ChEMBL |
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