BioLiP

PDB

BioLiP

PDB CCD ID:

A1IU4

Number of entries in BioLiP:

Chemical formula:

C11 H8 N2 O5

InChI:

InChI=1S/C11H8N2O5/c14-8-4-7(10(15)16)12-9-5(8)2-1-3-6(9)13-11(17)18/h1-4,13H,(H,12,14)(H,15,16)(H,17,18)

InChIKey:

TZFHATGCWAKOOM-UHFFFAOYSA-N

SMILES:

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

Name:

8-(carboxyamino)-4-oxidanyl-quinoline-2-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).