Structure of PDB 8uzv Chain A Binding Site BS01 |
|
|
|
| Ligand ID | Y9G |
| InChI | InChI=1S/C12H11FN2O5S/c13-21(19,20)5-4-14-9-3-1-2-7-10(9)15-6-8(11(7)16)12(17)18/h1-3,6,14H,4-5H2,(H,15,16)(H,17,18) |
| InChIKey | IOSKNPKLXSTGAI-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)C1=CNc2c(NCC[S](F)(=O)=O)cccc2C1=O | | OpenEye OEToolkits 2.0.7 | c1cc2c(c(c1)NCCS(=O)(=O)F)NC=C(C2=O)C(=O)O | | ACDLabs 12.01 | FS(=O)(=O)CCNc1cccc2c1NC=C(C2=O)C(=O)O |
|
| Formula | C12 H11 F N2 O5 S |
| Name | 8-{[2-(fluorosulfonyl)ethyl]amino}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 8uzv Chain A Residue 701
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
