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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 | CHEMBL518497 |
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Molecular formula | C16H14N6O2 |
IUPAC name | 7-(furan-2-yl)-3-[(3-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine |
Molecular weight | 322.328 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 1.7 |
Synonyms | AOXADOPTSUIEGJ-UHFFFAOYSA-N BDBM50254004 SCHEMBL4051290 7-(2-Furyl)-3-(3-methoxybenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine |
Inchi Key | AOXADOPTSUIEGJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H14N6O2/c1-23-11-5-2-4-10(8-11)9-22-15-14(20-21-22)13(18-16(17)19-15)12-6-3-7-24-12/h2-8H,9H2,1H3,(H2,17,18,19) |
PubChem CID | 9901700 |
ChEMBL | CHEMBL518497 |
IUPHAR | N/A |
BindingDB | 50254004 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 77.0 nM | PMID19072055 | BindingDB,ChEMBL |
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