Structure of PDB 1mfd Chain H Binding Site BS02 |
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| Ligand ID | ABE |
| InChI | InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1 |
| InChIKey | KYPWIZMAJMNPMJ-KAZBKCHUSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | CC1C(CC(C(O1)O)O)O | | OpenEye OEToolkits 1.5.0 | C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O | | CACTVS 3.341 | C[CH]1O[CH](O)[CH](O)C[CH]1O | | ACDLabs 10.04 | OC1C(OC(O)C(O)C1)C | | CACTVS 3.341 | C[C@H]1O[C@H](O)[C@H](O)C[C@H]1O |
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| Formula | C6 H12 O4 |
| Name | alpha-D-Abequopyranose;
alpha-D-Abequose;
3,6-dideoxy-alpha-D-xylo-hexopyranose;
3,6-dideoxy-alpha-D-gulopyranose;
3,6-dideoxy-alpha-D-galactopyranose;
3-deoxy-alpha-D-fucopyranose;
D-Abequose;
Abequose |
| ChEMBL | |
| DrugBank | DB02590 |
| ZINC |
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| PDB chain | 1mfd Chain A Residue 3
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