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Name | CHEMBL3351026 |
---|---|
Molecular formula | C18H19N6Na2O8PS2 |
IUPAC name | disodium;(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-nitrophenyl)ethylsulfanyl]purin-9-yl]-5-(dioxidophosphinothioyloxymethyl)oxolane-3,4-diol |
Molecular weight | 588.457 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 3 |
XlogP | None |
Synonyms | N/A |
Inchi Key | HFXOOUIFEYBRMQ-CXKSGAPPSA-L |
Inchi ID | InChI=1S/C18H21N6O8PS2.2Na/c19-15-12-16(22-18(21-15)35-6-5-9-1-3-10(4-2-9)24(27)28)23(8-20-12)17-14(26)13(25)11(32-17)7-31-33(29,30)34;;/h1-4,8,11,13-14,17,25-26H,5-7H2,(H2,19,21,22)(H2,29,30,34);;/q;2*+1/p-2/t11-,13-,14-,17-;;/m1../s1 |
PubChem CID | 118719255 |
ChEMBL | CHEMBL3351026 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
446178 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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