Structure of PDB 2var Chain B Binding Site BS02 |
|
|
|
| Ligand ID | KDF |
| InChI | InChI=1S/C6H10O6/c7-2-4-3(8)1-6(11,12-4)5(9)10/h3-4,7-8,11H,1-2H2,(H,9,10)/t3-,4+,6+/m0/s1 |
| InChIKey | RCUMQJPRQWRUNN-MRKVFDINSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | OC[CH]1O[C](O)(C[CH]1O)C(O)=O | | CACTVS 3.341 | OC[C@H]1O[C@](O)(C[C@@H]1O)C(O)=O | | ACDLabs 10.04 | O=C(O)C1(O)OC(CO)C(O)C1 | | OpenEye OEToolkits 1.5.0 | C1C(C(OC1(C(=O)O)O)CO)O | | OpenEye OEToolkits 1.5.0 | C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O |
|
| Formula | C6 H10 O6 |
| Name | 3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid;
2-keto-3-deoxygluconate;
3-deoxy-alpha-D-erythro-hex-2-ulosonic acid;
3-deoxy-D-erythro-hex-2-ulosonic acid;
3-deoxy-erythro-hex-2-ulosonic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 2var Chain B Residue 1314
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
