BioLiP

PDB

BioLiP

PDB CCD ID:

SBW

Number of entries in BioLiP:

Chemical formula:

C14 H14 N2 O4 S

InChI:

InChI=1S/C14H14N2O4S/c15-21(19,20)13-6-4-11(5-7-13)14(18)16-9-10-2-1-3-12(17)8-10/h1-8,17H,9H2,(H,16,18)(H2,15,19,20)

InChIKey:

JHOGRPZBQMWATN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(N)c2ccc(C(=O)NCc1cccc(O)c1)cc2
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(O)c2
OpenEye OEToolkits 1.7.6	c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N

Name:

N-(3-hydroxybenzyl)-4-sulfamoylbenzamide

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).