BioLiP

PDB

BioLiP

PDB CCD ID:

3N8

Number of entries in BioLiP:

Chemical formula:

C6 H5 F O2

InChI:

InChI=1S/C6H5FO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H

InChIKey:

NFWGQJUHSAGJBE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(c(cc1F)O)O
ACDLabs 12.01	Fc1cc(O)c(O)cc1
CACTVS 3.385	Oc1ccc(F)cc1O

Name:

4-fluorobenzene-1,2-diol

ZINC:

ZINC000002244021

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).