Structure of PDB 5in3 Chain A Binding Site BS04 |
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| Ligand ID | G1P |
| InChI | InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | HXXFSFRBOHSIMQ-VFUOTHLCSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O | | ACDLabs 12.01 | O=P(O)(OC1OC(C(O)C(O)C1O)CO)O | | OpenEye OEToolkits 1.7.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O | | CACTVS 3.370 | OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O | | OpenEye OEToolkits 1.7.0 | C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O |
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| Formula | C6 H13 O9 P |
| Name | 1-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE-1-PHOSPHATE;
1-O-phosphono-alpha-D-glucose;
1-O-phosphono-D-glucose;
1-O-phosphono-glucose |
| ChEMBL | |
| DrugBank | DB02843 |
| ZINC | ZINC000004073375
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| PDB chain | 5in3 Chain A Residue 416
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