BioLiP

PDB

BioLiP

PDB CCD ID:

RZ0

Number of entries in BioLiP:

Chemical formula:

C11 H16 N2 O3 S

InChI:

InChI=1S/C11H16N2O3S/c1-2-3-8-13-11(14)9-4-6-10(7-5-9)17(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H2,12,15,16)

InChIKey:

QBMVMGJMEIVTPO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.2	CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01	O=S(=O)(N)c1ccc(C(=O)NCCCC)cc1

Name:

N-butyl-4-sulfamoylbenzamide

ChEMBL:

CHEMBL75131

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).