BioLiP

PDB

BioLiP

PDB CCD ID:

0F3

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O4 S2

InChI:

InChI=1S/C6H9N3O4S2/c7-14(10,11)6-3-1-5(2-4-6)9-15(8,12)13/h1-4,9H,(H2,7,10,11)(H2,8,12,13)

InChIKey:

VORWCQRDADUXEU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[S](=O)(=O)Nc1ccc(cc1)[S](N)(=O)=O
ACDLabs 12.01	O=S(=O)(N)c1ccc(NS(=O)(=O)N)cc1
OpenEye OEToolkits 1.7.6	c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N

Name:

4-(sulfamoylamino)benzenesulfonamide

ChEMBL:

CHEMBL2164729

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).