Structure of PDB 2uvi Chain A Binding Site BS02 |
|
|
|
| Ligand ID | AQA |
| InChI | InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6-/m0/s1 |
| InChIKey | IAKKJSVSFCTLRY-DJSBZWDSSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C1=C(OC(C(C1O)O)O)C(=O)O | | OpenEye OEToolkits 2.0.7 | C1=C(O[C@@H]([C@@H]([C@H]1O)O)O)C(=O)O | | ACDLabs 12.01 | O=C(O)C=1OC(C(C(C=1)O)O)O | | CACTVS 3.385 | O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O | | CACTVS 3.385 | O[C@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O |
|
| Formula | C6 H8 O6 |
| Name | 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid;
4-deoxy-beta-L-threo-hex-4-enuronic acid;
4-deoxy-L-threo-hex-4-enuronic acid;
4-deoxy-threo-hex-4-enuronic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 2uvi Chain B Residue 2
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
