BioLiP

PDB

BioLiP

PDB CCD ID:

QDD

Number of entries in BioLiP:

Chemical formula:

C12 H10 N2 O4

InChI:

InChI=1S/C12H10N2O4/c13-8-3-1-2-7-6(5-10(15)16)4-9(12(17)18)14-11(7)8/h1-4H,5,13H2,(H,15,16)(H,17,18)

InChIKey:

GLEDWRQWHYYQNO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cccc2c(CC(O)=O)cc(nc12)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc2c(cc(nc2c(c1)N)C(=O)O)CC(=O)O

Name:

2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic 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).