Structure of PDB 8w6p Chain A Binding Site BS02 |
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| Ligand ID | YA4 |
| InChI | InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1 |
| InChIKey | HBCHIJUQXWEATM-LMVFSUKVSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)S)O)O | | CACTVS 3.385 | O[CH]1CO[CH](CO[P](O)(S)=O)[CH]1O | | CACTVS 3.385 | O[C@H]1CO[C@H](CO[P](O)(S)=O)[C@H]1O | | OpenEye OEToolkits 2.0.7 | C1C(C(C(O1)COP(=O)(O)S)O)O |
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| Formula | C5 H11 O6 P S |
| Name | [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8w6p Chain A Residue 501
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| Enzyme Commision number |
3.1.4.-
3.6.1.15: nucleoside-triphosphate phosphatase. |
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