BioLiP

PDB

BioLiP

PDB CCD ID:

7DM

Number of entries in BioLiP:

Chemical formula:

C10 H7 N O4

InChI:

InChI=1S/C10H7NO4/c12-8-4-9(13)11-7-2-1-5(10(14)15)3-6(7)8/h1-4H,(H,14,15)(H2,11,12,13)

InChIKey:

RPPMJWDFCWLZHA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)c2ccc1c(C(O)=CC(=O)N1)c2
OpenEye OEToolkits 1.7.6	c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O
CACTVS 3.385	OC(=O)c1ccc2NC(=O)C=C(O)c2c1

Name:

4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid

ZINC:

ZINC000117768082

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).