BioLiP

PDB

BioLiP

PDB CCD ID:

FBG

Number of entries in BioLiP:

Chemical formula:

C9 H7 F O4

InChI:

InChI=1S/C9H7FO4/c10-6-1-5-3-13-4-14-8(5)7(2-6)9(11)12/h1-2H,3-4H2,(H,11,12)

InChIKey:

HWBALMSPYAUMMB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)c1cc(F)cc2COCOc12
ACDLabs 12.01	O=C(O)c2cc(F)cc1c2OCOC1
OpenEye OEToolkits 1.7.6	c1c(cc(c2c1COCO2)C(=O)O)F

Name:

6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid

ZINC:

ZINC000004271828

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).