Structure of PDB 2nst Chain A Binding Site BS01 |
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| Ligand ID | M8C |
| InChI | InChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3+,4+,5-,6-/m0/s1 |
| InChIKey | DICCNWCUKCYGNF-KGJVWPDLSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | COC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O | | OpenEye OEToolkits 1.5.0 | COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O | | ACDLabs 10.04 | O=C(OC)C1OC(O)C(O)C(O)C1O | | OpenEye OEToolkits 1.5.0 | COC(=O)C1C(C(C(C(O1)O)O)O)O | | CACTVS 3.341 | COC(=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
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| Formula | C7 H12 O7 |
| Name | methyl alpha-D-galactopyranuronate;
ALPHA-D-GALACTOPYRANURONIC METHYL ESTER;
(2S,3R,4S,5R,6S)-METHYL 3,4,5,6-TETRAHYDROXY-TETRAHYDRO-2H-PYRAN-2-CARBOXYLATE |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000004336492
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| PDB chain | 2nst Chain C Residue 2
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