BioLiP

PDB

BioLiP

PDB CCD ID:

KM6

Number of entries in BioLiP:

Chemical formula:

C8 H5 Cl N2 O

InChI:

InChI=1S/C8H5ClN2O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H

InChIKey:

AYUDXVQMLKGODN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2nnco2)Cl
CACTVS 3.385	Clc1ccc(cc1)c2ocnn2

Name:

2-(4-chlorophenyl)-1,3,4-oxadiazole

ZINC:

ZINC000019942701

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).