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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 | 3-Isobutyl-1-methylxanthine |
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Molecular formula | C10H14N4O2 |
IUPAC name | 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione |
Molecular weight | 222.248 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 1.5 |
Synonyms | 1zkl FT-0615920 3,7-Dihydro-3-isobutyl-1-methyl-1H-purine-2,6-dione HMS3262A05 3-Isobutyl-1-methyl-3,9-dihydro-purine-2,6-dione [ Show all ] |
Inchi Key | APIXJSLKIYYUKG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12) |
PubChem CID | 3758 |
ChEMBL | CHEMBL275084 |
IUPHAR | 388 |
BindingDB | 15336 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Affinity constant | 2.0 uM | PMID6279840 | ChEMBL |
Kd | 5900.0 nM | PMID15771445 | BindingDB,ChEMBL |
KD hydro | 19.0 mM | PMID15771445 | ChEMBL |
Ki | 7943.28 nM | PMID7798201 | IUPHAR |
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