BioLiP

PDB

BioLiP

PDB CCD ID:

RZ5

Number of entries in BioLiP:

Chemical formula:

C12 H18 N2 O3 S

InChI:

InChI=1S/C12H18N2O3S/c1-2-3-4-9-14-12(15)10-5-7-11(8-6-10)18(13,16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H2,13,16,17)

InChIKey:

KESWXTXQYSIIJQ-UHFFFAOYSA-N

SMILES:

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

Name:

N-pentyl-4-sulfamoylbenzamide

ChEMBL:

CHEMBL149507

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).