BioLiP

PDB

BioLiP

PDB CCD ID:

VTK

Number of entries in BioLiP:

Chemical formula:

C20 H25 N3 O5 S2

InChI:

InChI=1S/C20H25N3O5S2/c1-22(29(2,25)26)19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-3-7-15-23/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,21,24)

InChIKey:

WMMQKHOYQUOGHM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCCC3)[S](C)(=O)=O
OpenEye OEToolkits 2.0.7	CN(c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C

Name:

2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide

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).