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| Ligand ID | LAG |
| InChI | InChI=1S/C18H32N2O15/c21-1-4-14(9(26)11(28)16(19-4)20-31)34-18-13(30)10(27)15(6(3-23)33-18)35-17-12(29)8(25)7(24)5(2-22)32-17/h4-15,17-18,21-31H,1-3H2,(H,19,20)/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1 |
| InChIKey | AHRWQUNEPBVNOT-IVJVVCOPSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.5 | C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O | | ACDLabs 10.04 | O(C1C(O)C(O)C(=N\O)\NC1CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | OpenEye OEToolkits 1.7.5 | C(C1C(C(C(C(=NO)N1)O)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O | | CACTVS 3.385 | OC[C@H]1NC(=N\O)/[C@H](O)[C@@H](O)[C@@H]1O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O | | CACTVS 3.385 | OC[CH]1NC(=NO)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O |
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| Formula | C18 H32 N2 O15 |
| Name | MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME;
MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM |
| ChEMBL | CHEMBL1233953 |
| DrugBank | DB01922 |
| ZINC | ZINC000064460049
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| PDB chain | 1u30 Chain A Residue 501
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[View ligand structure]
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