BioLiP

PDB

BioLiP

PDB CCD ID:

8OE

Number of entries in BioLiP:

Chemical formula:

C11 H8 Cl2 N2 O

InChI:

InChI=1S/C11H8Cl2N2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H,14H2

InChIKey:

PGVMWEHPHKWCFC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1N)Oc2c(cc(cn2)Cl)Cl
CACTVS 3.385	Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1

Name:

4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline

ZINC:

ZINC000022145390

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).