BioLiP

PDB

BioLiP

PDB CCD ID:

U7M

Number of entries in BioLiP:

Chemical formula:

C11 H17 N3 O3 S

InChI:

InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-9-4-6-10(7-5-9)18(12,16)17/h4-7H,2-3,8H2,1H3,(H2,12,16,17)(H2,13,14,15)

InChIKey:

KRWAZLNUJVEUNK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385	CCCCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O

Name:

1-butyl-3-(4-sulfamoylphenyl)urea;
4-(3-butylureido)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).