BioLiP

PDB

BioLiP

PDB CCD ID:

G8F

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O3 S

InChI:

InChI=1S/C7H9NO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)

InChIKey:

VBKIEQKVSHDVGH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cccc(c1)S(=O)(=O)N
CACTVS 3.385	COc1cccc(c1)[S](N)(=O)=O

Name:

3-methoxybenzenesulfonamide

ZINC:

ZINC000012359521

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).