BioLiP

PDB

BioLiP

PDB CCD ID:

OMF

Number of entries in BioLiP:

Chemical formula:

C13 H8 Cl4 O

InChI:

InChI=1S/C13H8Cl4O/c1-18-12-3-2-7(4-9(12)14)8-5-10(15)13(17)11(16)6-8/h2-6H,1H3

InChIKey:

ZPWFINDBNFLFDF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2
OpenEye OEToolkits 2.0.6	COc1ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl

Name:

1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene

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).