BioLiP

PDB

BioLiP

PDB CCD ID:

TN3

Number of entries in BioLiP:

Chemical formula:

C14 H11 Cl2 N O3

InChI:

InChI=1S/C14H11Cl2NO3/c1-17-14(19)8-2-4-12(10(16)6-8)20-13-5-3-9(15)7-11(13)18/h2-7,18H,1H3,(H,17,19)

InChIKey:

IWVJLENCOIFPGH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CNC(=O)c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1
ACDLabs 10.04	Clc2cc(ccc2Oc1ccc(Cl)cc1O)C(=O)NC
OpenEye OEToolkits 1.5.0	CNC(=O)c1ccc(c(c1)Cl)Oc2ccc(cc2O)Cl

Name:

3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE

ChEMBL:

CHEMBL197474

ZINC:

ZINC000028562852

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).