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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 | N-(2-hydroxyethyl)-8-methoxy-2-oxo-2H-chromene-3-carboxamide |
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Molecular formula | C13H13NO5 |
IUPAC name | N-(2-hydroxyethyl)-8-methoxy-2-oxochromene-3-carboxamide |
Molecular weight | 263.249 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 1.2 |
Synonyms | MCULE-8956316244 ZINC2999339 AC1M55IU N-(2-hydroxyethyl)-8-methoxy-2-oxochromene-3-carboxamide CHEMBL2042083 [ Show all ] |
Inchi Key | AMVJXRCZLMEIAU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H13NO5/c1-18-10-4-2-3-8-7-9(12(16)14-5-6-15)13(17)19-11(8)10/h2-4,7,15H,5-6H2,1H3,(H,14,16) |
PubChem CID | 2295666 |
ChEMBL | CHEMBL2042083 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Inhibition | 12.0 % | PMID22677030 | ChEMBL |
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