Structure of PDB 3h69 Chain A Binding Site BS03 |
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| Ligand ID | ENL |
| InChI | InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6+ |
| InChIKey | GXEKYRXVRROBEV-FBXFSONDSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C1CC2C(C(C1O2)C(=O)O)C(=O)O | | CACTVS 3.341 | OC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(O)=O | | OpenEye OEToolkits 1.5.0 | C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O | | ACDLabs 10.04 | O=C(O)C1C(C(=O)O)C2OC1CC2 | | CACTVS 3.341 | OC(=O)[CH]1[CH]2CC[CH](O2)[CH]1C(O)=O |
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| Formula | C8 H10 O5 |
| Name | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;
Endothall |
| ChEMBL | CHEMBL428650 |
| DrugBank | |
| ZINC | ZINC000003872447
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| PDB chain | 3h69 Chain A Residue 0
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