BioLiP

PDB

BioLiP

PDB CCD ID:

A1IJQ

Number of entries in BioLiP:

Chemical formula:

C10 H8 N2 O2

InChI:

InChI=1S/C10H8N2O2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-5H,11H2,(H,13,14)

InChIKey:

YHYCPHGLRYTKCI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cccc2ccc(nc12)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc2ccc(nc2c(c1)N)C(=O)O

Name:

8-azanylquinoline-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).