Structure of PDB 6d3q Chain E Binding Site BS01 |
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| Ligand ID | 4NG |
| InChI | InChI=1S/C4H8NO6P/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2-3,6,8H,1H2,(H2,9,10,11)/t2-,3-/m0/s1 |
| InChIKey | CGWBGDOPBYWJKZ-HRFVKAFMSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | C1(C(CC(N1O)O)P(O)(=O)O)=O | | CACTVS 3.385 | O[C@H]1C[C@@H](C(=O)N1O)[P](O)(O)=O | | CACTVS 3.385 | O[CH]1C[CH](C(=O)N1O)[P](O)(O)=O | | OpenEye OEToolkits 1.9.2 | C1C(C(=O)N(C1O)O)P(=O)(O)O | | OpenEye OEToolkits 1.9.2 | C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O |
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| Formula | C4 H8 N O6 P |
| Name | [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid |
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| DrugBank | |
| ZINC |
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| PDB chain | 6d3q Chain E Residue 501
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