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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 | CHEMBL32507 |
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Molecular formula | C23H24IN7O4 |
IUPAC name | 2-[6-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyridazin-3-yl]oxy-N-(4-iodophenyl)acetamide |
Molecular weight | 589.394 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 2.9 |
Synonyms | BDBM50140962 SCHEMBL1779754 2-[6-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-pyridazin-3-yloxy]-N-(4-iodo-phenyl)-acetamide |
Inchi Key | ANRXJTQUUKQYBV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H24IN7O4/c1-3-11-30-21-19(22(33)31(12-4-2)23(30)34)26-20(27-21)16-9-10-18(29-28-16)35-13-17(32)25-15-7-5-14(24)6-8-15/h5-10H,3-4,11-13H2,1-2H3,(H,25,32)(H,26,27) |
PubChem CID | 10153190 |
ChEMBL | CHEMBL32507 |
IUPHAR | N/A |
BindingDB | 50140962 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | <1000.0 nM | PMID14998332 | BindingDB,ChEMBL |
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