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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 | 4506-71-2 |
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Molecular formula | C11H15NO2S |
IUPAC name | ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular weight | 225.306 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | BIDD:GT0558 CS-0028339 ethyl 2-amino-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate ethyl-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate J-507811 [ Show all ] |
Inchi Key | CDYVTVLXEWMCHU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3 |
PubChem CID | 78262 |
ChEMBL | CHEMBL338479 |
IUPHAR | N/A |
BindingDB | 50202527 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
AE Score | 3.5 % | PMID11784142 | ChEMBL |
Inhibition | 53.0 % | PMID11784142 | ChEMBL |
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