BioLiP

PDB

BioLiP

PDB CCD ID:

5F6

Number of entries in BioLiP:

Chemical formula:

C16 H9 Cl2 N O

InChI:

InChI=1S/C16H9Cl2NO/c17-12-4-1-5-13(18)15(12)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1-9H

InChIKey:

LMXZTTBPURRZTL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl
CACTVS 3.385	Clc1cccc(Cl)c1C(=O)c2ccc3ncccc3c2
ACDLabs 12.01	c1(cccc(c1C(c2ccc3c(c2)cccn3)=O)Cl)Cl

Name:

(2,6-dichlorophenyl)(quinolin-6-yl)methanone

ChEMBL:

CHEMBL4446675

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).