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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 | CHEMBL610953 |
---|---|
Molecular formula | C20H22FN5O5 |
IUPAC name | (2R,3S,4R)-2-[(4-fluorophenoxy)methyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol |
Molecular weight | 431.424 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 3 |
XlogP | 1.6 |
Synonyms | BDBM50451983 |
Inchi Key | FMLAPHYFKCYBEB-YPCFTJQESA-N |
Inchi ID | InChI=1S/C20H22FN5O5/c21-11-1-3-13(4-2-11)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-12-5-6-29-7-12/h1-4,9-10,12,14,16-17,20,27-28H,5-8H2,(H,22,23,25)/t12?,14-,16-,17-,20?/m1/s1 |
PubChem CID | 46875586 |
ChEMBL | CHEMBL610953 |
IUPHAR | N/A |
BindingDB | 50451983 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
CPA | 71.0 % | PMID15203164 | ChEMBL |
Ki | 343.0 nM | PMID15203164 | BindingDB |
Ki low | 343.0 nM | PMID15203164 | ChEMBL |
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