Structure of PDB 4f8h Chain E Binding Site BS01 |
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| Ligand ID | LMD |
| InChI | InChI=1S/C26H50O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-34-25-23(33)21(31)24(18(16-28)36-25)37-26-22(32)20(30)19(29)17(15-27)35-26/h17-33H,2-16H2,1H3/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-/m1/s1 |
| InChIKey | UKPROSIGWJBJGA-IWODYCRQSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.6 | CCCCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O | | OpenEye OEToolkits 1.7.6 | CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O | | CACTVS 3.370 | CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | | ACDLabs 12.01 | O(CCCCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO | | CACTVS 3.370 | CCCCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O |
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| Formula | C26 H50 O11 |
| Name | tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside;
n-Tetradecyl-b-D-maltopyranosid |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000098209120
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| PDB chain | 4f8h Chain A Residue 402
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