|
| Ligand ID | GYG |
| InChI | InChI=1S/C11H22N4O8S/c1-4(17)14-8-5(15-11(12)13)2-7(24(20,21)22)23-10(8)9(19)6(18)3-16/h5-10,16,18-19H,2-3H2,1H3,(H,14,17)(H4,12,13,15)(H,20,21,22)/t5-,6+,7+,8+,9+,10+/m0/s1 |
| InChIKey | SMAXKAOIZYKFEF-IHICSVBISA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)N[CH]1[CH](C[CH](O[CH]1[CH](O)[CH](O)CO)[S](O)(=O)=O)NC(N)=N | | OpenEye OEToolkits 2.0.6 | [H]/N=C(/N)\N[C@H]1C[C@H](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)S(=O)(=O)O | | OpenEye OEToolkits 2.0.6 | CC(=O)NC1C(CC(OC1C(C(CO)O)O)S(=O)(=O)O)NC(=N)N | | CACTVS 3.385 | CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@H](O)[C@H](O)CO)[S](O)(=O)=O)NC(N)=N | | ACDLabs 12.01 | C1(CC(C(C(C(C(O)CO)O)O1)NC(C)=O)NC(\N)=N)S(=O)(=O)O |
|
| Formula | C11 H22 N4 O8 S |
| Name | (1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol;
(1R)-4-(acetylamino)-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 6br5 Chain A Residue 512
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
