BioLiP

PDB

BioLiP

PDB CCD ID:

P5Z

Number of entries in BioLiP:

Chemical formula:

C17 H11 Cl2 N O3

InChI:

InChI=1S/C17H11Cl2NO3/c1-9-15(17(21)22)16(23-14-5-3-2-4-12(14)19)11-8-10(18)6-7-13(11)20-9/h2-8H,1H3,(H,21,22)

InChIKey:

ABPWAZGWFVYLDD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O
ACDLabs 12.01	Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O
OpenEye OEToolkits 2.0.7	Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O

Name:

6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid

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).