BioLiP

PDB

BioLiP

PDB CCD ID:

D7A

Number of entries in BioLiP:

Chemical formula:

C17 H20 N2 O5 S

InChI:

InChI=1S/C17H20N2O5S/c1-23-15-8-3-12(11-16(15)24-2)9-10-19-17(20)13-4-6-14(7-5-13)25(18,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)

InChIKey:

ZVVZHSQXKXOTQG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N
ACDLabs 12.01	O=S(=O)(N)c2ccc(C(=O)NCCc1ccc(OC)c(OC)c1)cc2
CACTVS 3.370	COc1ccc(CCNC(=O)c2ccc(cc2)[S](N)(=O)=O)cc1OC

Name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide

ChEMBL:

CHEMBL2048917

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).