BioLiP

PDB

BioLiP

PDB CCD ID:

5RD

Number of entries in BioLiP:

Chemical formula:

C11 H18 N2 O2 S

InChI:

InChI=1S/C11H18N2O2S/c1-2-3-8-13-9-10-4-6-11(7-5-10)16(12,14)15/h4-7,13H,2-3,8-9H2,1H3,(H2,12,14,15)

InChIKey:

RHYZDWOMWDFYOA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CCCCNCc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385	CCCCNCc1ccc(cc1)[S](N)(=O)=O

Name:

4-(butylaminomethyl)benzenesulfonamide

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).