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Name | AC1NBNI5 |
---|---|
Molecular formula | C10H13N5O9P2 |
IUPAC name | [4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl dihydrogen phosphate |
Molecular weight | 409.188 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 4 |
XlogP | -3.7 |
Synonyms | [4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl dihydrogen phosphate CHEMBL55718 Phosphoric acid mono-[6-(6-amino-purin-9-yl)-2-hydroxy-2-oxo-tetrahydro-2lambda*5*-furo[3,4-d][1,3,2]dioxaphosphol-4-ylmethyl] ester BDBM50062280 |
Inchi Key | HJMBCNJTGVMDOA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C10H13N5O9P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(23-26(19,20)24-7)4(22-10)1-21-25(16,17)18/h2-4,6-7,10H,1H2,(H,19,20)(H2,11,12,13)(H2,16,17,18) |
PubChem CID | 4470795 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50062280 |
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 |
---|---|---|---|---|---|
520186 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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