Structure of PDB 5ue5 Chain A Binding Site BS02 |
|
|
|
| Ligand ID | IDS |
| InChI | InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1 |
| InChIKey | COJBCAMFZDFGFK-VCSGLWQLSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O | | OpenEye OEToolkits 1.5.0 | [C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O | | CACTVS 3.341 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O | | CACTVS 3.341 | O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O | | ACDLabs 10.04 | O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O |
|
| Formula | C6 H10 O10 S |
| Name | 2-O-sulfo-alpha-L-idopyranuronic acid;
O2-SULFO-GLUCURONIC ACID;
2-O-sulfo-alpha-L-iduronic acid;
2-O-sulfo-L-iduronic acid;
2-O-sulfo-iduronic acid |
| ChEMBL | |
| DrugBank | DB02264 |
| ZINC | ZINC000004096028
|
| PDB chain | 5ue5 Chain B Residue 2
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
