BioLiP

PDB

BioLiP

PDB CCD ID:

F3B

Number of entries in BioLiP:

Chemical formula:

C6 Cl3 F3

InChI:

InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11

InChIKey:

QPXZZPSKCVNHFW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Fc1c(Cl)c(F)c(Cl)c(F)c1Cl
OpenEye OEToolkits 1.5.0	c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F
ACDLabs 10.04	Clc1c(F)c(Cl)c(F)c(Cl)c1F

Name:

1,3,5-trichloro-2,4,6-trifluorobenzene

ZINC:

ZINC000001701567

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).