Structure of PDB 1hkj Chain A Binding Site BS01 |
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| Ligand ID | NA1 |
| InChI | InChI=1S/C9H17NO6/c1-4(11)10-6-8(13)7(12)5(3-15-2)16-9(6)14/h5-9,12-14H,3H2,1-2H3,(H,10,11)/t5-,6-,7-,8+,9?/m1/s1 |
| InChIKey | KDTVUHXJRZVEIF-NBTWYFBKSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H]1O)COC)O)O | | OpenEye OEToolkits 1.5.0 | CC(=O)NC1C(C(C(OC1O)COC)O)O | | CACTVS 3.341 | COC[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O | | CACTVS 3.341 | COC[C@H]1O[C@H](O)[C@H](NC(C)=O)[C@H](O)[C@@H]1O | | ACDLabs 10.04 | O=C(NC1C(O)C(O)C(OC1O)COC)C |
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| Formula | C9 H17 N O6 |
| Name | 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose;
METHYL N-ACETYL ALLOSAMINE;
2-(ACETYLAMINO)-2-DEOXY-6-O-METHYL-ALPHA-D-ALLOPYRANOSE;
2-acetamido-2-deoxy-6-O-methyl-alpha-D-allose;
2-acetamido-2-deoxy-6-O-methyl-D-allose;
2-acetamido-2-deoxy-6-O-methyl-allose |
| ChEMBL | |
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| ZINC |
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| PDB chain | 1hkj Chain B Residue 2
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