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Name | CHEMBL54116 |
---|---|
Molecular formula | C11H17N5O9P2 |
IUPAC name | [2-[6-(methylamino)purin-9-yl]-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate |
Molecular weight | 425.231 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 5 |
XlogP | -3.0 |
Synonyms | BDBM50062291 Phosphoric acid mono-[2-(6-methylamino-purin-9-yl)-5-phosphonooxymethyl-tetrahydro-furan-3-yl] ester |
Inchi Key | IZSBZSQDVKIOPM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C11H17N5O9P2/c1-12-9-8-10(14-4-13-9)16(5-15-8)11-7(25-27(20,21)22)2-6(24-11)3-23-26(17,18)19/h4-7,11H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22) |
PubChem CID | 44299183 |
ChEMBL | CHEMBL54116 |
IUPHAR | N/A |
BindingDB | 50062291 |
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 |
---|---|---|---|---|---|
145547 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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