Structure of PDB 2var Chain A Binding Site BS02 |
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| Ligand ID | KDF |
| InChI | InChI=1S/C6H10O6/c7-2-4-3(8)1-6(11,12-4)5(9)10/h3-4,7-8,11H,1-2H2,(H,9,10)/t3-,4+,6+/m0/s1 |
| InChIKey | RCUMQJPRQWRUNN-MRKVFDINSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | OC[CH]1O[C](O)(C[CH]1O)C(O)=O | | CACTVS 3.341 | OC[C@H]1O[C@](O)(C[C@@H]1O)C(O)=O | | ACDLabs 10.04 | O=C(O)C1(O)OC(CO)C(O)C1 | | OpenEye OEToolkits 1.5.0 | C1C(C(OC1(C(=O)O)O)CO)O | | OpenEye OEToolkits 1.5.0 | C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O |
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| Formula | C6 H10 O6 |
| Name | 3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid;
2-keto-3-deoxygluconate;
3-deoxy-alpha-D-erythro-hex-2-ulosonic acid;
3-deoxy-D-erythro-hex-2-ulosonic acid;
3-deoxy-erythro-hex-2-ulosonic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 2var Chain A Residue 1314
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