BioLiP

PDB

BioLiP

PDB CCD ID:

260

Number of entries in BioLiP:

Chemical formula:

C7 H5 Br F2

InChI:

InChI=1S/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

InChIKey:

LSXJPJGBWSZHTM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	BrCc1c(F)cccc1F
CACTVS 3.341	Fc1cccc(F)c1CBr
OpenEye OEToolkits 1.5.0	c1cc(c(c(c1)F)CBr)F

Name:

2-(bromomethyl)-1,3-difluorobenzene

ZINC:

ZINC000002242587

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).