Structure of PDB 1ww5 Chain B Binding Site BS02 |
|
|
|
| Ligand ID | SGA |
| InChI | InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3+,4-,5+,6-/m1/s1 |
| InChIKey | HHRMGTRTCHNCRO-FDROIEKHSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=S(=O)(OC1C(O)C(OC(O)C1O)CO)O | | CACTVS 3.341 | OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O | | CACTVS 3.341 | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[S](O)(=O)=O)[C@H]1O | | OpenEye OEToolkits 1.5.0 | C(C1C(C(C(C(O1)O)O)OS(=O)(=O)O)O)O | | OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O)O |
|
| Formula | C6 H12 O9 S |
| Name | 3-O-sulfo-beta-D-galactopyranose;
O3-SULFONYLGALACTOSE;
3-O-sulfo-beta-D-galactose;
3-O-sulfo-D-galactose;
3-O-sulfo-galactose |
| ChEMBL | |
| DrugBank | DB01818 |
| ZINC | ZINC000005829868
|
| PDB chain | 1ww5 Chain F Residue 2
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
