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Name | Adenosine receptor A1 |
---|---|
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 | CHEMBL275421 |
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Molecular formula | C22H23N5O |
IUPAC name | 4-(cyclohexylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one |
Molecular weight | 373.46 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | BDBM50086130 4-Cyclohexylamino-2-m-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one 2-(3-Methylphenyl)-4-(cyclohexylamino)[1,2,4]triazolo[4,3-a]quinoxaline-1(2H)-one 4-(cyclohexylamino)-2-m-tolyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one |
Inchi Key | AMXKVGAJMUQALJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23N5O/c1-15-8-7-11-17(14-15)27-22(28)26-19-13-6-5-12-18(19)24-20(21(26)25-27)23-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3,(H,23,24) |
PubChem CID | 10667072 |
ChEMBL | CHEMBL275421 |
IUPHAR | N/A |
BindingDB | 50086130 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 3.981 nM | PMID16279775 | ChEMBL |
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