BioLiP

PDB

BioLiP

PDB CCD ID:

N7M

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O4 S

InChI:

InChI=1S/C9H13N3O4S/c10-17(15,16)8-3-1-7(2-4-8)12-9(14)11-5-6-13/h1-4,13H,5-6H2,(H2,10,15,16)(H2,11,12,14)

InChIKey:

BDPLJVICBWZNIK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1ccc(NC(=O)NCCO)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1NC(=O)NCCO)S(=O)(=O)N
ACDLabs 12.01	c1cc(S(=O)(=O)N)ccc1NC(=O)NCCO

Name:

4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide

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).