BioLiP

PDB

BioLiP

PDB CCD ID:

GNJ

Number of entries in BioLiP:

Chemical formula:

C10 H7 N O6 S

InChI:

InChI=1S/C10H7NO6S/c12-9-5-2-1-3-7(18(15,16)17)8(5)11-4-6(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17)

InChIKey:

FKTVHRZETGCILU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O
CACTVS 3.385	OC(=O)c1cnc2c(cccc2[S](O)(=O)=O)c1O
ACDLabs 12.01	c1c(c2ncc(c(c2cc1)O)C(=O)O)S(O)(=O)=O

Name:

4-hydroxy-8-sulfoquinoline-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).