BioLiP

PDB

BioLiP

PDB CCD ID:

8PC

Number of entries in BioLiP:

Chemical formula:

C18 H13 Cl2 N O2

InChI:

InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2

InChIKey:

AOVDSWPGWPRTSR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Oc1cc(Cc2ccccn2)ccc1Oc3ccc(Cl)cc3Cl
OpenEye OEToolkits 1.5.0	c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
ACDLabs 10.04	Clc3ccc(Oc1ccc(cc1O)Cc2ncccc2)c(Cl)c3

Name:

2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL

ChEMBL:

CHEMBL260585

DrugBank:

DB07287

ZINC:

ZINC000029060814

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).