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Name | Adenosine receptor A1 |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Adora1 |
Synonym | A1 receptor A1-AR A1R adenosine receptor A1 RDC7 |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED |
UniProt | P25099 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL318 |
IUPHAR | 18 |
DrugBank | N/A |
Name | CHEMBL607881 |
---|---|
Molecular formula | C15H20IN5O4 |
IUPAC name | (3R,4S,5R)-2-[6-(cyclopentylamino)-2-iodopurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
Molecular weight | 461.26 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 1.6 |
Synonyms | BDBM50366245 |
Inchi Key | ADUQODSMIAKKMU-OYBGHCQBSA-N |
Inchi ID | InChI=1S/C15H20IN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14?/m1/s1 |
PubChem CID | 46876641 |
ChEMBL | CHEMBL607881 |
IUPHAR | N/A |
BindingDB | 50366245 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 20.0 nM | , Bioorg. Med. Chem. Lett., (1991) 1:9:481 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417