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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 | CHEMBL200479 |
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Molecular formula | C16H12ClN5O |
IUPAC name | 8-chloro-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine |
Molecular weight | 325.756 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | BDBM50178632 8-chloro-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine |
Inchi Key | CIFHDXKENKUWEC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H12ClN5O/c1-23-11-5-2-9(3-6-11)15-20-16-14(18)19-12-7-4-10(17)8-13(12)22(16)21-15/h2-8H,1H3,(H2,18,19) |
PubChem CID | 10471588 |
ChEMBL | CHEMBL200479 |
IUPHAR | N/A |
BindingDB | 50178632 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 36.0 nM | PMID16335918 | BindingDB,ChEMBL |
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