BioLiP

PDB

BioLiP

PDB CCD ID:

TN2

Number of entries in BioLiP:

Chemical formula:

C12 H7 Cl2 N O4

InChI:

InChI=1S/C12H7Cl2NO4/c13-7-1-3-12(10(16)5-7)19-11-4-2-8(15(17)18)6-9(11)14/h1-6,16H

InChIKey:

DEDBMNCDHFNYKX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c(cc1[N+](=O)[O-])Cl)Oc2ccc(cc2O)Cl
ACDLabs 10.04	Clc2cc(ccc2Oc1ccc(Cl)cc1O)[N+]([O-])=O
CACTVS 3.341	Oc1cc(Cl)ccc1Oc2ccc(cc2Cl)[N+]([O-])=O

Name:

5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL

ChEMBL:

CHEMBL370595

ZINC:

ZINC000096309556

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).