BioLiP

PDB

BioLiP

PDB CCD ID:

H50

Number of entries in BioLiP:

Chemical formula:

C16 H11 Cl2 F O2

InChI:

InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)

InChIKey:

LIYLTQQDABRNRX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc3ccc(c1c(F)cc(cc1)C2(C(=O)O)CC2)cc3Cl
CACTVS 3.370	OC(=O)C1(CC1)c2ccc(c(F)c2)c3ccc(Cl)c(Cl)c3
OpenEye OEToolkits 1.7.6	c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl

Name:

1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid

ChEMBL:

CHEMBL196945

DrugBank:

DB16825

ZINC:

ZINC000003986651

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).