BioLiP

PDB

BioLiP

PDB CCD ID:

A1ISS

Number of entries in BioLiP:

Chemical formula:

C12 H9 N3

InChI:

InChI=1S/C12H9N3/c1-2-4-12-11(3-1)10(5-6-13-12)9-7-14-15-8-9/h1-8H,(H,14,15)

InChIKey:

PJKFKLYKZFIEHG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[nH]1cc(cn1)c2ccnc3ccccc23
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(ccn2)c3c[nH]nc3

Name:

4-(1H-pyrazol-4-yl)quinoline

ChEMBL:

CHEMBL2022868

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).