BioLiP

PDB

BioLiP

PDB CCD ID:

QVE

Number of entries in BioLiP:

Chemical formula:

C12 H10 N2 O5

InChI:

InChI=1S/C12H10N2O5/c13-7-3-1-2-6-9(19-5-10(15)16)4-8(12(17)18)14-11(6)7/h1-4H,5,13H2,(H,15,16)(H,17,18)

InChIKey:

ISBWTKCQKHNORE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O
OpenEye OEToolkits 2.0.5	c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O

Name:

8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid

ZINC:

ZINC000584905658

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).