Structure of PDB 4c4r Chain A Binding Site BS02 |
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| Ligand ID | YO5 |
| InChI | InChI=1S/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6+,7+/m1/s1 |
| InChIKey | XRMRHVWWWWFMKR-UOYQFSTFSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | OC[CH]1O[CH](C[P](O)(O)=O)[CH](O)[CH](O)[CH]1O | | OpenEye OEToolkits 1.9.2 | C(C1C(C(C(C(O1)CP(=O)(O)O)O)O)O)O | | OpenEye OEToolkits 1.9.2 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(O)O)O)O)O)O | | ACDLabs 12.01 | O=P(O)(O)CC1OC(C(O)C(O)C1O)CO | | CACTVS 3.385 | OC[C@H]1O[C@@H](C[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |
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| Formula | C7 H15 O8 P |
| Name | (1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol;
Beta-1 phosphonomethylene-D-glucopyranose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000080898227
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| PDB chain | 4c4r Chain A Residue 1220
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