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Name | CHEMBL387520 |
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Molecular formula | C15H22N2O17P2S |
IUPAC name | (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
Molecular weight | 596.346 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 9 |
XlogP | -5.8 |
Synonyms | diphosphoric acid 1-alpha-D-glucopyranosuronic acid 2-((2''-thio)uridin-5''''-yl)ester BDBM50209667 |
Inchi Key | PIVUDWGDQYQGRN-LXQIFKJMSA-N |
Inchi ID | InChI=1S/C15H22N2O17P2S/c18-5-1-2-17(15(37)16-5)12-9(22)6(19)4(31-12)3-30-35(26,27)34-36(28,29)33-14-10(23)7(20)8(21)11(32-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,26,27)(H,28,29)(H,16,18,37)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1 |
PubChem CID | 44422899 |
ChEMBL | CHEMBL387520 |
IUPHAR | N/A |
BindingDB | 50209667 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
260832 | P2Y purinoceptor 14 | Q15391 | P2RY14 | Homo sapiens (Human) | 338 |
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