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| Ligand ID | R7E |
| InChI | InChI=1S/C18H22N2O6/c1-9-14(21)15(22)16(23)18(25-9)20-17(24)13-6-5-12(26-13)11-4-2-3-10(7-11)8-19/h2-7,9,14-16,18,21-23H,8,19H2,1H3,(H,20,24)/t9-,14+,15+,16-,18-/m0/s1 |
| InChIKey | NOVNWDXRBIJEJE-GUJIERIFSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 3.1.0.0 | CC1C(C(C(C(O1)NC(=O)c2ccc(o2)c3cccc(c3)CN)O)O)O | | OpenEye OEToolkits 3.1.0.0 | C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)NC(=O)c2ccc(o2)c3cccc(c3)CN)O)O)O | | CACTVS 3.385 | C[CH]1O[CH](NC(=O)c2oc(cc2)c3cccc(CN)c3)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | C[C@@H]1O[C@H](NC(=O)c2oc(cc2)c3cccc(CN)c3)[C@@H](O)[C@H](O)[C@@H]1O |
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| Formula | C18 H22 N2 O6 |
| Name | 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide;
(5-(3'-aminomethyl)phenyl)furan-2-carboxamido-b-L-fucopyranose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8bro Chain A Residue 201
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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