BioLiP

PDB

BioLiP

PDB CCD ID:

5O5

Number of entries in BioLiP:

Chemical formula:

C8 H6 Cl2 N4 O

InChI:

InChI=1S/C8H6Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)

InChIKey:

ZOGKJMQMVBATST-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(OCc2[nH]nnn2)cc1Cl
OpenEye OEToolkits 2.0.4	c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl

Name:

5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole

ZINC:

ZINC000041291718

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).