BioLiP

PDB

BioLiP

PDB CCD ID:

BSB

Number of entries in BioLiP:

Chemical formula:

C14 H14 N2 O3 S

InChI:

InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)

InChIKey:

CZKNSZUJCJHTTM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=S(=O)(N)c2ccc(C(=O)NCc1ccccc1)cc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N
CACTVS 3.341	N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2

Name:

N-BENZYL-4-SULFAMOYL-BENZAMIDE

ChEMBL:

CHEMBL302715

DrugBank:

DB01748

ZINC:

ZINC000000403946

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).