BioLiP

PDB

BioLiP

PDB CCD ID:

VD8

Number of entries in BioLiP:

Chemical formula:

C14 H23 N O2 S

InChI:

InChI=1S/C14H23NO2S/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)18(15,16)17/h7-9H,1-6H3,(H2,15,16,17)

InChIKey:

JHNRXWPREULLAE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C
CACTVS 3.385	CC(C)(C)c1cc(cc(c1)[S](N)(=O)=O)C(C)(C)C

Name:

3,5-di~{tert}-butylbenzenesulfonamide

ZINC:

ZINC000000284491

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).