BioLiP

PDB

BioLiP

PDB CCD ID:

S2S

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O3 S

InChI:

InChI=1S/C8H10N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)

InChIKey:

DVCWUTSWCVQZSC-UHFFFAOYSA-N

SMILES:

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

Name:

4-(methylsulfonylamino)benzamide

ZINC:

ZINC000000571755

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).