Structure of PDB 4e84 Chain A Binding Site BS02 |
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| Ligand ID | M7B |
| InChI | InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1 |
| InChIKey | SDADNVAZGVDAIM-ZUHYCWGWSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.6 | C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)(O)O | | ACDLabs 12.01 | O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O | | OpenEye OEToolkits 1.7.6 | C(C(C1C(C(C(C(O1)O)O)O)O)O)OP(=O)(O)O | | CACTVS 3.370 | O[CH](CO[P](O)(O)=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.370 | O[C@H](CO[P](O)(O)=O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |
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| Formula | C7 H15 O10 P |
| Name | 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose;
7-O-phosphono-D-glycero-beta-D-manno-heptose;
7-O-phosphono-D-glycero-D-manno-heptose;
7-O-phosphono-D-glycero-manno-heptose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000004097441
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| PDB chain | 4e84 Chain A Residue 502
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