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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 | CHEMBL146549 |
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Molecular formula | C19H23N5O4 |
IUPAC name | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(2-phenylpropan-2-yloxymethyl)oxolane-3,4-diol |
Molecular weight | 385.424 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 0.2 |
Synonyms | 2-(6-Amino-purin-9-yl)-5-(1-methyl-1-phenyl-ethoxymethyl)-tetrahydro-furan-3,4-diol (2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1-phenyl-ethoxymethyl)-tetrahydro-furan-3,4-diol BDBM50069319 SCHEMBL1224379 |
Inchi Key | BQXWWDVKJFOOSA-SCFUHWHPSA-N |
Inchi ID | InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1 |
PubChem CID | 20696356 |
ChEMBL | CHEMBL146549 |
IUPHAR | N/A |
BindingDB | 50069319 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 28.0 nM | PMID9871584 | BindingDB,ChEMBL |
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