Structure of PDB 1r82 Chain A Binding Site BS01 |
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| Ligand ID | AOG |
| InChI | InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1 |
| InChIKey | HABUHWBZDNZBSI-MBJXGIAVSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O | | CACTVS 3.341 | CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](N)[CH]1O | | ACDLabs 10.04 | O(CCCCCCCC)C1OC(C(O)C(N)C1O)CO | | OpenEye OEToolkits 1.5.0 | CCCCCCCCOC1C(C(C(C(O1)CO)O)N)O | | CACTVS 3.341 | CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1O |
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| Formula | C14 H29 N O5 |
| Name | octyl 3-amino-3-deoxy-beta-D-galactopyranoside;
4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL;
octyl 3-amino-3-deoxy-beta-D-galactoside;
octyl 3-amino-3-deoxy-D-galactoside;
octyl 3-amino-3-deoxy-galactoside |
| ChEMBL | |
| DrugBank | DB07378 |
| ZINC | ZINC000053683016
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| PDB chain | 1r82 Chain B Residue 1
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