BioLiP

PDB

BioLiP

PDB CCD ID:

A1H6Y

Number of entries in BioLiP:

Chemical formula:

C7 H7 Br O2 S

InChI:

InChI=1S/C7H7BrO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3

InChIKey:

FJLFSYRGFJDJMQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[S](=O)(=O)c1ccc(Br)cc1
OpenEye OEToolkits 2.0.7	CS(=O)(=O)c1ccc(cc1)Br

Name:

1-bromanyl-4-methylsulfonyl-benzene

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).