Structure of PDB 4c2s Chain B Binding Site BS01 |
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| Ligand ID | DLG |
| InChI | InChI=1S/C12H24O5/c1-2-3-4-5-6-16-12-10(15)7-9(14)11(8-13)17-12/h9-15H,2-8H2,1H3/t9-,10-,11-,12-/m1/s1 |
| InChIKey | TXGXIVBQPNUSRY-DDHJBXDOSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 10.04 | O(CCCCCC)C1OC(C(O)CC1O)CO | | CACTVS 3.341 | CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)C[C@H]1O | | CACTVS 3.341 | CCCCCCO[CH]1O[CH](CO)[CH](O)C[CH]1O | | OpenEye OEToolkits 1.5.0 | CCCCCCOC1C(CC(C(O1)CO)O)O | | OpenEye OEToolkits 1.5.0 | CCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O |
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| Formula | C12 H24 O5 |
| Name | hexyl 3-deoxy-beta-D-galactopyranoside;
HEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSE;
2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL;
hexyl 3-deoxy-beta-D-galactoside;
hexyl 3-deoxy-D-galactoside;
hexyl 3-deoxy-galactoside |
| ChEMBL | |
| DrugBank | DB03772 |
| ZINC | ZINC000005973054
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| PDB chain | 4c2s Chain D Residue 1
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