BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2E

Number of entries in BioLiP:

Chemical formula:

C10 H8 N2 O2

InChI:

InChI=1S/C10H8N2O2/c1-6-8(10(13)14)5-7-3-2-4-11-9(7)12-6/h2-5H,1H3,(H,13,14)

InChIKey:

STQOBEMCYUGNTL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(cc2cccnc2n1)C(=O)O
CACTVS 3.385	Cc1nc2ncccc2cc1C(O)=O

Name:

2-methyl-1,8-naphthyridine-3-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).