BioLiP

PDB

BioLiP

PDB CCD ID:

YA5

Number of entries in BioLiP:

Chemical formula:

C16 H10 F N O6 S

InChI:

InChI=1S/C16H10FNO6S/c17-25(22,23)24-13-7-2-1-4-9(13)10-5-3-6-11-14(10)18-8-12(15(11)19)16(20)21/h1-8H,(H,18,19)(H,20,21)

InChIKey:

OTACFQKCZJQCRU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)c2cccc3c2NC=C(C3=O)C(=O)O)OS(=O)(=O)F
ACDLabs 12.01	FS(=O)(=O)Oc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O
CACTVS 3.385	OC(=O)C1=CNc2c(cccc2c3ccccc3O[S](F)(=O)=O)C1=O

Name:

(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).