Structure of PDB 4s2b Chain A Binding Site BS01 |
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| Ligand ID | 44S |
| InChI | InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1 |
| InChIKey | YKPKUODDXPUHGL-KVTDHHQDSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | O[CH]1C[CH](O)[CH](O1)[CH](O)CO[P](O)(O)=O | | CACTVS 3.385 | O[C@H]1C[C@@H](O)[C@@H](O1)[C@H](O)CO[P](O)(O)=O | | ACDLabs 12.01 | O=P(O)(O)OCC(O)C1OC(O)CC1O | | OpenEye OEToolkits 1.7.6 | C1[C@H]([C@@H](O[C@H]1O)[C@@H](COP(=O)(O)O)O)O | | OpenEye OEToolkits 1.7.6 | C1C(C(OC1O)C(COP(=O)(O)O)O)O |
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| Formula | C6 H13 O8 P |
| Name | 2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose;
tagatose-6-phosphate, bound form;
2-deoxy-6-O-phosphono-beta-D-lyxo-hexose;
2-deoxy-6-O-phosphono-D-lyxo-hexose;
2-deoxy-6-O-phosphono-lyxo-hexose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000263621282
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| PDB chain | 4s2b Chain A Residue 401
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