BioLiP

PDB

BioLiP

PDB CCD ID:

TZ9

Number of entries in BioLiP:

Chemical formula:

C9 H6 F2 O

InChI:

InChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2

InChIKey:

DRQKJKGKLYCHHB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cc(c2c1C=CCO2)F)F
ACDLabs 12.01 CACTVS 3.385	Fc1cc(F)c2OCC=Cc2c1

Name:

6,8-bis(fluoranyl)chromene

ZINC:

ZINC000039941619

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).