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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 | CHEMBL377523 |
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Molecular formula | C18H15N5O3 |
IUPAC name | N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide |
Molecular weight | 349.35 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 1.9 |
Synonyms | 4-acetamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-triazolo[4,3-a]quinoxalin-1-one BDBM50189808 |
Inchi Key | DHZCLDQSLBMBBL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H15N5O3/c1-11(24)19-16-17-21-23(12-7-9-13(26-2)10-8-12)18(25)22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20,24) |
PubChem CID | 11602711 |
ChEMBL | CHEMBL377523 |
IUPHAR | N/A |
BindingDB | 50189808 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Inhibition | 34.0 % | PMID16789747 | ChEMBL |
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