BioLiP

PDB

BioLiP

PDB CCD ID:

7KT

Number of entries in BioLiP:

Chemical formula:

C10 H15 N O2 S

InChI:

InChI=1S/C10H15NO2S/c1-7-5-8(2)10(9(3)6-7)14(12,13)11-4/h5-6,11H,1-4H3

InChIKey:

MIMYTDNFDINXHB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN[S](=O)(=O)c1c(C)cc(C)cc1C
OpenEye OEToolkits 2.0.6	Cc1cc(c(c(c1)C)S(=O)(=O)NC)C

Name:

~{N},2,4,6-tetramethylbenzenesulfonamide

ZINC:

ZINC000000305130

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).