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Name | CHEMBL2386490 |
---|---|
Molecular formula | C18H21N5O11P2S |
IUPAC name | [(2R,3R,4S,5R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] benzoate |
Molecular weight | 577.398 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 5 |
XlogP | -1.6 |
Synonyms | BDBM50435012 |
Inchi Key | KKIOXGKWHHDPLE-QZDOHJIMSA-N |
Inchi ID | InChI=1S/C18H21N5O11P2S/c1-37-18-21-14(19)11-15(22-18)23(8-20-11)16-13(33-17(25)9-5-3-2-4-6-9)12(24)10(32-16)7-31-36(29,30)34-35(26,27)28/h2-6,8,10,12-13,16,24H,7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t10-,12+,13-,16-/m1/s1 |
PubChem CID | 73354953 |
ChEMBL | CHEMBL2386490 |
IUPHAR | N/A |
BindingDB | 50435012 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | 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 |
---|---|---|---|---|---|
171184 | P2Y purinoceptor 11 | Q96G91 | P2RY11 | Homo sapiens (Human) | 374 |
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