Structure of PDB 6qsg Chain A Binding Site BS01 |
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| Ligand ID | SIW |
| InChI | InChI=1S/O4Si.12H2O.24O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;12*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*+1/p-12 |
| InChIKey | LFGROBKNYNLKMF-UHFFFAOYSA-B |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | [O][W]1234O[W]567(O18[Si]91O%10%11[W]%12%13(O2)(O[W]%102(O5)(O[W]%115(O%12)(O[W]%10%11%12(O99[W](O%10)(O3)(O%13)(O[W]93(O%11)(O[W]8(O4)(O6)(O[W]46(O3)(O11[W](O4)(O7)(O2)(O[W]1(O6)(O5)(O%12)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] | | CACTVS 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O1[W]234O[W]567O[W]89%10O[W]1%11%12O[W]%13%14(O8)O[W]%15%16%17O[W]%18(O2)(O%11)O[W]%19%20(O[W]%21(O3)(O5)O[W]%22%23(O%19)O[W]%24(O6)(O9)O[W](O%13)(O%15)(O%22)[O]%23%24[Si]([O]47%21)([O]%10%12%14)[O]%16%18%20)O%17 |
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| Formula | O40 Si W12 |
| Name | Keggin (STA) |
| ChEMBL | |
| DrugBank | |
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| PDB chain | 6qsg Chain A Residue 301
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