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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 | CHEMBL1258192 |
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Molecular formula | C22H23N7O2 |
IUPAC name | 4-(furan-2-yl)-10-[3-(4-propan-2-yloxyphenyl)propyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine |
Molecular weight | 417.473 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | BDBM50327463 2-(furan-2-yl)-7-(3-(4-isopropoxyphenyl)propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine |
Inchi Key | AGHKEJJPPICBKN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23N7O2/c1-14(2)31-16-9-7-15(8-10-16)5-3-11-28-20-17(13-24-28)21-25-19(18-6-4-12-30-18)27-29(21)22(23)26-20/h4,6-10,12-14H,3,5,11H2,1-2H3,(H2,23,26) |
PubChem CID | 52946213 |
ChEMBL | CHEMBL1258192 |
IUPHAR | N/A |
BindingDB | 50327463 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Inhibition | 35.0 % | PMID20801028 | ChEMBL |
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