Structure of PDB 7ehp Chain B Binding Site BS01 |
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| Ligand ID | NAG |
| InChI | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 |
| InChIKey | OVRNDRQMDRJTHS-FMDGEEDCSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.6 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O | | CACTVS 3.370 | CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O | | CACTVS 3.370 | CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O | | ACDLabs 12.01 | O=C(NC1C(O)C(O)C(OC1O)CO)C | | OpenEye OEToolkits 1.7.6 | CC(=O)NC1C(C(C(OC1O)CO)O)O |
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| Formula | C8 H15 N O6 |
| Name | 2-acetamido-2-deoxy-beta-D-glucopyranose;
N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose;
2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose;
N-ACETYL-D-GLUCOSAMINE |
| ChEMBL | CHEMBL447878 |
| DrugBank | |
| ZINC | ZINC000003983907
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| PDB chain | 7ehp Chain D Residue 1
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