Structure of PDB 4il4 Chain D Binding Site BS01 |
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| Ligand ID | LSM |
| InChI | InChI=1S/C24H46O10Se/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1 |
| InChIKey | MEIBWTYMLPEGMV-ALYNCGSASA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | CCCCCCCCCCCC[Se][CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O | | OpenEye OEToolkits 1.7.2 | CCCCCCCCCCCC[Se]C1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O | | CACTVS 3.370 | CCCCCCCCCCCC[Se][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 | | OpenEye OEToolkits 1.7.2 | CCCCCCCCCCCC[Se][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 | | ACDLabs 12.01 | O(C1C(OC([Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO |
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| Formula | C24 H46 O10 Se |
| Name | dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside;
DODECYL-BETA-D-SELENOMALTOSIDE |
| ChEMBL | |
| DrugBank | |
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| PDB chain | 4il4 Chain D Residue 405
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