BioLiP

PDB

BioLiP

PDB CCD ID:

64I

Number of entries in BioLiP:

Chemical formula:

C12 H2 F8 O2

InChI:

InChI=1S/C12H2F8O2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H

InChIKey:

MOFZHBRFFAIMKM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc1c(c(F)c(F)c(O)c1F)c2c(F)c(F)c(O)c(F)c2F
OpenEye OEToolkits 1.7.6	c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F
CACTVS 3.370	Oc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(O)c(F)c2F

Name:

2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol

ZINC:

ZINC000002168906

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).