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Ligand ID | BWG |
InChI | InChI=1S/C11H18N2O6S/c1-4(15)6-2-12-11(20-6)13-10-9(18)8(17)7(16)5(3-14)19-10/h2,4-5,7-10,14-18H,3H2,1H3,(H,12,13)/t4-,5-,7-,8+,9+,10+/m1/s1 |
InChIKey | VVRCICGIWCXPFT-ZMLRDBKSSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | CACTVS 3.370 | CC(=O)c1sc(N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)nc1 | CACTVS 3.370 | CC(=O)c1sc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nc1 | ACDLabs 12.01 | O1C(CO)C(O)C(O)C(O)C1Nc2ncc(s2)C(O)C | OpenEye OEToolkits 1.7.6 | CC(=O)c1cnc(s1)NC2C(C(C(C(O2)CO)O)O)O |
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Formula | C11 H16 N2 O6 S |
Name | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine; N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannosylamine; N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-D-mannosylamine; N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-mannosylamine |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 3zl2 Chain A Residue 1159
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