Structure of PDB 5hc8 Chain A Binding Site BS03 |
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| Ligand ID | ISY |
| InChI | InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8) |
| InChIKey | YLTQZUVQWVAPNP-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.0 | CC(=C)CCSP(=O)(O)OP(=O)(O)O | | OpenEye OEToolkits 1.7.0 | CC(=C)CCS[P@@](=O)(O)OP(=O)(O)O | | ACDLabs 12.01 | O=P(O)(OP(=O)(O)SCCC(=C)\C)O | | CACTVS 3.370 | CC(=C)CCS[P](O)(=O)O[P](O)(O)=O |
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| Formula | C5 H12 O6 P2 S |
| Name | 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid;
Isopentyl S-Thiolodiphosphate |
| ChEMBL | CHEMBL448120 |
| DrugBank | |
| ZINC |
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| PDB chain | 5hc8 Chain A Residue 405
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