BioLiP

PDB

BioLiP

PDB CCD ID:

VWY

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O3 S

InChI:

InChI=1S/C10H14N2O3S/c1-3-11-10(13)8-4-6-9(7-5-8)12-16(2,14)15/h4-7,12H,3H2,1-2H3,(H,11,13)

InChIKey:

GWMALJVYSHCCNB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(CC)C(c1ccc(cc1)NS(C)(=O)=O)=O
CACTVS 3.385	CCNC(=O)c1ccc(N[S](C)(=O)=O)cc1
OpenEye OEToolkits 2.0.7	CCNC(=O)c1ccc(cc1)NS(=O)(=O)C

Name:

N-ethyl-4-[(methylsulfonyl)amino]benzamide

ZINC:

ZINC000000571921

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).