BioLiP

PDB

BioLiP

PDB CCD ID:

ZNV

Number of entries in BioLiP:

Chemical formula:

C9 H9 F O

InChI:

InChI=1S/C9H9FO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2

InChIKey:

MABBMHBZKPIFFV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	Fc1ccccc1OCC=C
OpenEye OEToolkits 2.0.7	C=CCOc1ccccc1F

Name:

1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene

ZINC:

ZINC000002548198

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).