Structure of PDB 1jwl Chain C Binding Site BS01 |
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| Ligand ID | NPF |
| InChI | InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1 |
| InChIKey | SWRPIVXPHLYETN-BVWHHUJWSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | C[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O)[CH](O)[CH]1O | | OpenEye OEToolkits 1.5.0 | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)O | | CACTVS 3.341 | C[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O | | OpenEye OEToolkits 1.5.0 | CC1C(C(C(C(O1)Oc2ccccc2[N+](=O)[O-])O)O)O | | ACDLabs 10.04 | [O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)C)cccc2 |
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| Formula | C12 H15 N O7 |
| Name | 2-nitrophenyl beta-D-fucopyranoside;
ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE;
2-nitrophenyl 6-deoxy-beta-D-galactopyranoside;
2-nitrophenyl beta-D-fucoside;
2-nitrophenyl D-fucoside;
2-nitrophenyl fucoside |
| ChEMBL | |
| DrugBank | DB08297 |
| ZINC | ZINC000006031723
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| PDB chain | 1jwl Chain C Residue 334
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