Structure of PDB 6fwj Chain A Binding Site BS03 |
|
|
|
| Ligand ID | E9K |
| InChI | InChI=1S/C7H13NO3/c9-2-3-1-4-5(8-4)7(11)6(3)10/h3-11H,1-2H2/t3-,4-,5-,6-,7-/m1/s1 |
| InChIKey | JACJTGDBUDQHPY-NYMZXIIRSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C1C(C(C(C2C1N2)O)O)CO | | CACTVS 3.385 | OC[C@H]1C[C@H]2N[C@H]2[C@@H](O)[C@@H]1O | | CACTVS 3.385 | OC[CH]1C[CH]2N[CH]2[CH](O)[CH]1O | | OpenEye OEToolkits 2.0.6 | C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1N2)O)O)CO |
|
| Formula | C7 H13 N O3 |
| Name | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 6fwj Chain A Residue 403
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Enzyme Commision number |
? |
|
|
|
|
|
