BioLiP

PDB

BioLiP

PDB CCD ID:

OM4

Number of entries in BioLiP:

Chemical formula:

C13 H9 Cl3 O

InChI:

InChI=1S/C13H9Cl3O/c1-17-13-5-3-9(7-12(13)16)8-2-4-10(14)11(15)6-8/h2-7H,1H3

InChIKey:

HEPYVKVRVSITAU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2
OpenEye OEToolkits 2.0.6	COc1ccc(cc1Cl)c2ccc(c(c2)Cl)Cl

Name:

1,2-bis(chloranyl)-4-(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).