BioLiP

PDB

BioLiP

PDB CCD ID:

GA6

Number of entries in BioLiP:

Chemical formula:

C14 H13 N O4 S

InChI:

InChI=1S/C14H13NO4S/c1-20(18,19)15-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(16)17/h2-9,15H,1H3,(H,16,17)

InChIKey:

DYJLEZXYMJHNOA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O
CACTVS 3.385	C[S](=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(O)=O

Name:

3-[4-(methylsulfonylamino)phenyl]benzoic acid

ChEMBL:

CHEMBL4164533

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).