BioLiP

PDB

BioLiP

PDB CCD ID:

A1H4J

Number of entries in BioLiP:

Chemical formula:

C9 H7 Cl N2

InChI:

InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)

InChIKey:

HLCXWJKNVWWWOF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(cc1)c2cc[nH]n2
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2cc[nH]n2)Cl

Name:

3-(4-chlorophenyl)-1H-pyrazole

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).