Structure of PDB 4rw3 Chain A Binding Site BS02 |
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| Ligand ID | IPD |
| InChI | InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1 |
| InChIKey | INAPMGSXUVUWAF-UOTPTPDRSA-L |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O | | CACTVS 3.370 | O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[P]([O-])([O-])=O)[C@H](O)[C@H]1O | | OpenEye OEToolkits 1.7.6 | [C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O | | OpenEye OEToolkits 1.7.6 | C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-])O)O)O | | CACTVS 3.370 | O[CH]1[CH](O)[CH](O)[CH](O[P]([O-])([O-])=O)[CH](O)[CH]1O |
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| Formula | C6 H11 O9 P |
| Name | D-MYO-INOSITOL-1-PHOSPHATE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 4rw3 Chain A Residue 304
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