|
Ligand ID | TV8 |
InChI | InChI=1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8+,9-,12-/m1/s1 |
InChIKey | GRYSXUXXBDSYRT-IQEPQDSISA-N |
SMILES | Software | SMILES |
---|
OpenEye OEToolkits 2.0.7 | CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)OC | OpenEye OEToolkits 2.0.7 | CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)OC | CACTVS 3.385 | CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H](O)[C@H]3OC | CACTVS 3.385 | CNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3OC |
|
Formula | C12 H17 N5 O4 |
Name | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol |
ChEMBL | |
DrugBank | |
ZINC |
|
PDB chain | 7bik Chain B Residue 602
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|