BioLiP

PDB

BioLiP

PDB CCD ID:

JZ6

Number of entries in BioLiP:

Chemical formula:

C3 H3 Cl N2

InChI:

InChI=1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

InChIKey:

BADSZRMNXWLUKO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1c(cn[nH]1)Cl
CACTVS 3.352	Clc1c[nH]nc1

Name:

4-chloro-1H-pyrazole

ZINC:

ZINC000001049758

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).