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Name | alpha,beta-methylene-UDP |
---|---|
Molecular formula | C12H20N2O8P2S |
IUPAC name | [[(2S,3S,4R,5R)-3,4-dimethyl-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid |
Molecular weight | 414.306 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | -1.8 |
Synonyms | D0Q5SV GTPL6203 alpha.beta-methylene-2-thio-UDP [({[(2S,3S,4R,5R)-3,4-dimethyl-5-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid |
Inchi Key | HGGLEWIKYOGGHB-YSSBGUOXSA-N |
Inchi ID | InChI=1S/C12H20N2O8P2S/c1-7-8(2)11(14-4-3-10(15)13-12(14)25)22-9(7)5-21-24(19,20)6-23(16,17)18/h3-4,7-9,11H,5-6H2,1-2H3,(H,19,20)(H,13,15,25)(H2,16,17,18)/t7-,8+,9+,11+/m0/s1 |
PubChem CID | 73755188 |
ChEMBL | N/A |
IUPHAR | 6203 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
553827 | P2Y purinoceptor 14 | Q15391 | P2RY14 | Homo sapiens (Human) | 338 |
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