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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 | L-249313 |
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Molecular formula | C18H16N4O2 |
IUPAC name | methyl 9-methyl-2-phenyl-5H-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylate |
Molecular weight | 320.352 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 1.6 |
Synonyms | D0Y8SB 9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylic acid methyl ester SCHEMBL13932309 AC1N966E CHEMBL52735 [ Show all ] |
Inchi Key | DBROFPXBIMMIMF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3 |
PubChem CID | 4355631 |
ChEMBL | CHEMBL52735 |
IUPHAR | N/A |
BindingDB | 50059376 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 5300.0 nM | PMID11170626 | BindingDB,ChEMBL |
Ki | <10000.0 nM | PMID11170626 | BindingDB,ChEMBL |
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