BioLiP

PDB

BioLiP

PDB CCD ID:

JPJ

Number of entries in BioLiP:

Chemical formula:

C20 H16 Cl2 O2

InChI:

InChI=1S/C20H16Cl2O2/c21-16-9-11-19(17(22)13-16)24-20-10-8-15(12-18(20)23)7-6-14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2

InChIKey:

SOSAEWQXZFTNAQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Clc3cc(Cl)ccc3Oc1ccc(cc1O)CCc2ccccc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
CACTVS 3.341	Oc1cc(CCc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl

Name:

2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL

ChEMBL:

CHEMBL260061

ZINC:

ZINC000016052312

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).