BioLiP

PDB

BioLiP

PDB CCD ID:

A1JNJ

Number of entries in BioLiP:

Chemical formula:

C9 H7 N3 O2

InChI:

InChI=1S/C9H7N3O2/c13-9(14)6-1-2-8(10-3-6)7-4-11-12-5-7/h1-5H,(H,11,12)(H,13,14)

InChIKey:

HOWKGKXZKIRBGK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ncc1C(=O)O)c2c[nH]nc2
CACTVS 3.385	OC(=O)c1ccc(nc1)c2c[nH]nc2

Name:

6-(1~{H}-pyrazol-4-yl)pyridine-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).