BioLiP

PDB

BioLiP

PDB CCD ID:

FB4

Number of entries in BioLiP:

Chemical formula:

C12 H9 Cl2 N O2

InChI:

InChI=1S/C12H9Cl2NO2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H,15H2

InChIKey:

ZNHVVJUATLQYST-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	Nc1cc(Cl)ccc1Oc2ccc(Cl)cc2O
OpenEye OEToolkits 1.7.0	c1cc(c(cc1Cl)N)Oc2ccc(cc2O)Cl

Name:

2-(2-amino-4-chlorophenoxy)-5-chlorophenol

ZINC:

ZINC000058631689

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).