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| Ligand ID | UH8 |
| InChI | InChI=1S/C14H18N4O5/c1-22-14-11(13(21)12(20)10(7-19)23-14)18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12-,13-,14+/m1/s1 |
| InChIKey | GWSVVXWGZNVVOP-ITGHMWBKSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1n2cc(nn2)c3cccnc3 | | OpenEye OEToolkits 2.0.7 | COC1C(C(C(C(O1)CO)O)O)n2cc(nn2)c3cccnc3 | | OpenEye OEToolkits 2.0.7 | CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3cccnc3 | | CACTVS 3.385 | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3cccnc3 |
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| Formula | C14 H18 N4 O5 |
| Name | Methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside;
(2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yl-1,2,3-triazol-1-yl)oxane-3,4-diol |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7nl6 Chain A Residue 504
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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