BioLiP

PDB

BioLiP

PDB CCD ID:

A1ISU

Number of entries in BioLiP:

Chemical formula:

C6 H5 Cl2 N

InChI:

InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

InChIKey:

UQRLKWGPEVNVHT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cc(cc1Cl)Cl)N
CACTVS 3.385	Nc1cc(Cl)cc(Cl)c1

Name:

3,5-bis(chloranyl)aniline;
3,5-dichloroaniline

ChEMBL:

CHEMBL1451208

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).