BioLiP

PDB

BioLiP

PDB CCD ID:

Y1H

Number of entries in BioLiP:

Chemical formula:

C9 H9 F O3

InChI:

InChI=1S/C9H9FO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2,11H,3-5H2

InChIKey:

YLADDVZIEBXWQU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc1cc2COCOc2c(c1)CO
OpenEye OEToolkits 2.0.7	c1c(cc(c2c1COCO2)CO)F
CACTVS 3.385	OCc1cc(F)cc2COCOc12

Name:

(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol

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).