BioLiP

PDB

BioLiP

PDB CCD ID:

NE1

Number of entries in BioLiP:

Chemical formula:

C12 H5 Cl5 O

InChI:

InChI=1S/C12H5Cl5O/c13-7-2-1-6(10(16)11(7)17)5-3-8(14)12(18)9(15)4-5/h1-4,18H

InChIKey:

YICLFMBHTHJFHZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Oc1c(Cl)cc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl
ACDLabs 10.04	Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)c(Cl)c2Cl
OpenEye OEToolkits 1.5.0	c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl

Name:

2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL

ChEMBL:

CHEMBL1234676

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).