Structure of PDB 3oaz Chain H Binding Site BS01 |
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| Ligand ID | 2M5 |
| InChI | InChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1 |
| InChIKey | PNWOVLBMFHSUMR-IHKZFYOVSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.0 | C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O | | CACTVS 3.370 | CO[C@H]1O[C@H]([C@H](C)O)[C@@H](O)[C@H](O)[C@@H]1O | | ACDLabs 12.01 | OC1C(O)C(O)C(OC1OC)C(O)C | | CACTVS 3.370 | CO[CH]1O[CH]([CH](C)O)[CH](O)[CH](O)[CH]1O | | OpenEye OEToolkits 1.7.0 | CC(C1C(C(C(C(O1)OC)O)O)O)O |
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| Formula | C8 H16 O6 |
| Name | methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside;
methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside;
methyl 7-deoxy-L-glycero-D-manno-heptoside;
methyl 7-deoxy-L-glycero-manno-heptoside |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000058633204
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| PDB chain | 3oaz Chain H Residue 237
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