BioLiP

PDB

BioLiP

PDB CCD ID:

341

Number of entries in BioLiP:

Chemical formula:

C7 H6 F2 O

InChI:

InChI=1S/C7H6F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2

InChIKey:

LOGIHEKXJKHXEC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OCc1cc(F)cc(F)c1
OpenEye OEToolkits 1.5.0	c1c(cc(cc1F)F)CO
ACDLabs 10.04	Fc1cc(cc(F)c1)CO

Name:

(3,5-difluorophenyl)methanol

ZINC:

ZINC000000164758

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).