BioLiP

PDB

BioLiP

PDB CCD ID:

RLM

Number of entries in BioLiP:

Chemical formula:

C12 H9 Cl2 N O2

InChI:

InChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H

InChIKey:

IFTGQCOAUCEONK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1
OpenEye OEToolkits 1.9.2	c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O
ACDLabs 12.01	Clc1cc(cc(Cl)c1O)Nc2ccc(O)cc2

Name:

2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol

ZINC:

ZINC000002527896

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).