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Name | Adenosine receptor A1 |
---|---|
Species | Cavia porcellus (Guinea pig) |
Gene | ADORA1 |
Synonym | N/A |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD |
UniProt | P47745 |
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 | CHEMBL2304404 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL609233 |
---|---|
Molecular formula | C19H25N7O3S |
IUPAC name | (3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]oxolane-3,4-diol |
Molecular weight | 431.515 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 1.6 |
Synonyms | BDBM50452004 |
Inchi Key | CSGICLCLXOKRJK-PZGKNFOESA-N |
Inchi ID | InChI=1S/C19H25N7O3S/c1-25-7-6-20-19(25)30-8-12-14(27)15(28)18(29-12)26-10-23-13-16(21-9-22-17(13)26)24-11-4-2-3-5-11/h6-7,9-12,14-15,18,27-28H,2-5,8H2,1H3,(H,21,22,24)/t12-,14-,15-,18?/m1/s1 |
PubChem CID | 46876090 |
ChEMBL | CHEMBL609233 |
IUPHAR | N/A |
BindingDB | 50452004 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
CPA | 112.0 % | PMID15203164 | ChEMBL |
Ki | 1338.0 nM | PMID15203164 | BindingDB |
Ki low | 1338.0 nM | PMID15203164 | ChEMBL |
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