BioLiP

PDB

BioLiP

PDB CCD ID:

JPM

Number of entries in BioLiP:

Chemical formula:

C19 H14 Cl2 O2

InChI:

InChI=1S/C19H14Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2

InChIKey:

LUMKUDPYQGEIPU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
CACTVS 3.341	Oc1cc(Cc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl
ACDLabs 10.04	Clc3cc(Cl)ccc3Oc1ccc(cc1O)Cc2ccccc2

Name:

5-benzyl-2-(2,4-dichlorophenoxy)phenol

ChEMBL:

CHEMBL405973

ZINC:

ZINC000029061009

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).