BioLiP

PDB

BioLiP

PDB CCD ID:

IW2

Number of entries in BioLiP:

Chemical formula:

C14 H10 Br2 Cl2 O

InChI:

InChI=1S/C14H10Br2Cl2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-3,6-7,19H,4-5H2

InChIKey:

ZTXSVCNYFKOGBX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 11.02	Brc1cc(cc(Br)c1O)CCc2c(Cl)cccc2Cl
CACTVS 3.352	Oc1c(Br)cc(CCc2c(Cl)cccc2Cl)cc1Br
OpenEye OEToolkits 1.7.0	c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl

Name:

2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol

ChEMBL:

CHEMBL1233691

ZINC:

ZINC000058649598

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).