BioLiP

PDB

BioLiP

PDB CCD ID:

8H8

Number of entries in BioLiP:

Chemical formula:

C7 H4 F N O

InChI:

InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H

InChIKey:

REIVHYDACHXPNH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(c(cc1O)F)C#N
CACTVS 3.385	Oc1ccc(C#N)c(F)c1
ACDLabs 12.01	Fc1c(C#N)ccc(O)c1

Name:

2-fluoro-4-hydroxybenzonitrile

ZINC:

ZINC000000161696

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).