Structure of PDB 8ya7 Chain A Binding Site BS01 |
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| Ligand ID | X6Y |
| InChI | InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1 |
| InChIKey | CRKVWMQHXZHLCV-SXUWKVJYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CC1C(C(C(C(O1)O)OS(=O)(=O)O)O)O | | CACTVS 3.385 | C[C@@H]1O[C@@H](O)[C@@H](O[S](O)(=O)=O)[C@H](O)[C@@H]1O | | OpenEye OEToolkits 2.0.7 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)O | | ACDLabs 12.01 | C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O | | CACTVS 3.385 | C[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O |
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| Formula | C6 H12 O8 S |
| Name | 2-O-sulfo-alpha-L-fucopyranose;
6-deoxy-2-O-sulfo-alpha-L-galactopyranose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8ya7 Chain B Residue 1
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