BioLiP

PDB

BioLiP

PDB CCD ID:

A1IIV

Number of entries in BioLiP:

Chemical formula:

C10 H6 Cl3 N3

InChI:

InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-

InChIKey:

XGLHZTBDUXXHOM-WMZJFQQLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Cl)Cl)C(=Cn2cncn2)Cl
CACTVS 3.385	Clc1ccc(/C(Cl)=C/n2cncn2)c(Cl)c1
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Cl)Cl)/C(=C/n2cncn2)/Cl
CACTVS 3.385	Clc1ccc(C(Cl)=Cn2cncn2)c(Cl)c1

Name:

1-[(~{Z})-2-chloranyl-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole

ChEMBL:

CHEMBL1397886

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).