Structure of PDB 2j7e Chain B Binding Site BS01 |
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| Ligand ID | GI2 |
| InChI | InChI=1S/C11H16N2O6/c1-19-7(15)2-5-3-13-6(4-14)8(16)9(17)10(18)11(13)12-5/h3,6,8-10,14,16-18H,2,4H2,1H3/p+1/t6-,8-,9+,10-/m1/s1 |
| InChIKey | YBOGGQIIIVIQDH-SFKDOBOXSA-O |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | COC(=O)Cc1[nH]c2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)[n+]2c1 | | OpenEye OEToolkits 1.5.0 | COC(=O)Cc1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O | | OpenEye OEToolkits 1.5.0 | COC(=O)Cc1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O | | CACTVS 3.341 | COC(=O)Cc1[nH]c2[CH](O)[CH](O)[CH](O)[CH](CO)[n+]2c1 | | ACDLabs 10.04 | O=C(OC)Cc1c[n+]2c(n1)C(O)C(O)C(O)C2CO |
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| Formula | C11 H17 N2 O6 |
| Name | METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLE |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000103543074
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| PDB chain | 2j7e Chain B Residue 1446
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