BioLiP

PDB

BioLiP

PDB CCD ID:

BS4

Number of entries in BioLiP:

Chemical formula:

C13 H12 N2 O3 S

InChI:

InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)

InChIKey:

PBCZLFBEBARBBI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Nc1ccc(cc1)[S](=O)(=O)NC(=O)c2ccccc2
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N
ACDLabs 12.01	O=S(=O)(NC(=O)c1ccccc1)c2ccc(N)cc2

Name:

N-[(4-aminophenyl)sulfonyl]benzamide

ChEMBL:

CHEMBL1243

DrugBank:

DB09355

ZINC:

ZINC000005421253

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).