Structure of PDB 8v0c Chain B Binding Site BS01 |
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| Ligand ID | YE3 |
| InChI | InChI=1S/C18H15FN2O5S/c19-27(25,26)9-8-20-15-7-2-1-4-11(15)12-5-3-6-13-16(12)21-10-14(17(13)22)18(23)24/h1-7,10,20H,8-9H2,(H,21,22)(H,23,24) |
| InChIKey | GBGLBZXZHJILEF-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | FS(=O)(=O)CCNc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O | | OpenEye OEToolkits 2.0.7 | c1ccc(c(c1)c2cccc3c2NC=C(C3=O)C(=O)O)NCCS(=O)(=O)F | | CACTVS 3.385 | OC(=O)C1=CNc2c(cccc2c3ccccc3NCC[S](F)(=O)=O)C1=O |
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| Formula | C18 H15 F N2 O5 S |
| Name | (8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
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| DrugBank | |
| ZINC |
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| PDB chain | 8v0c Chain B Residue 704
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