BioLiP

PDB

BioLiP

PDB CCD ID:

TG4

Number of entries in BioLiP:

Chemical formula:

C14 H23 N3 O3 S

InChI:

InChI=1S/C14H23N3O3S/c1-2-3-9-16-11-14(18)17-10-8-12-4-6-13(7-5-12)21(15,19)20/h4-7,16H,2-3,8-11H2,1H3,(H,17,18)(H2,15,19,20)

InChIKey:

IQOGKBSHXIOYJQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CCCCNCC(=O)NCCc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385	CCCCNCC(=O)NCCc1ccc(cc1)[S](N)(=O)=O

Name:

2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide

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).