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Name | BDBM50303333 |
---|---|
Molecular formula | C13H16N2O11P2S-2 |
IUPAC name | [but-3-ynoxy(oxido)phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl phosphate |
Molecular weight | 470.282 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 3 |
XlogP | -3.2 |
Synonyms | Diphosphoric Acid 1-beta-(3-Butynyl)Ester 2-(2-Thiouridine-5''-yl)ester, bis-Triethylammonium Salt |
Inchi Key | OXAAFKZQDBSFCY-HJQYOEGKSA-L |
Inchi ID | InChI=1S/C13H18N2O11P2S/c1-2-3-6-23-27(19,20)26-28(21,22)24-7-8-10(17)11(18)12(25-8)15-5-4-9(16)14-13(15)29/h1,4-5,8,10-12,17-18H,3,6-7H2,(H,19,20)(H,21,22)(H,14,16,29)/p-2/t8-,10-,11-,12-/m1/s1 |
PubChem CID | 91933947 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50303333 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
252318 | P2Y purinoceptor 14 | Q15391 | P2RY14 | Homo sapiens (Human) | 338 |
252319 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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