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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 | CHEMBL327853 |
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Molecular formula | C13H7ClN4O2 |
IUPAC name | 8-chloro-2-(furan-3-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one |
Molecular weight | 286.675 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 2.3 |
Synonyms | BDBM50039956 8-chloro-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one 2-(3-Furyl)-8-chloro[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one 8-Chloro-2-furan-3-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one |
Inchi Key | CUIKPBVRWVBNLW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H7ClN4O2/c14-8-1-2-9-10(5-8)18-12(13(19)15-9)16-11(17-18)7-3-4-20-6-7/h1-6H,(H,15,19) |
PubChem CID | 10062568 |
ChEMBL | CHEMBL327853 |
IUPHAR | N/A |
BindingDB | 50039956 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 124.7 nM | PMID16335918 | BindingDB,ChEMBL |
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