BioLiP

PDB

BioLiP

PDB CCD ID:

N7S

Number of entries in BioLiP:

Chemical formula:

C11 H17 N3 O5 S

InChI:

InChI=1S/C11H17N3O5S/c12-20(18,19)8-3-4-10(16)9(7-8)14-11(17)13-5-1-2-6-15/h3-4,7,15-16H,1-2,5-6H2,(H2,12,18,19)(H2,13,14,17)

InChIKey:

YIESVFNRTQHBOZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCCCO)c1
ACDLabs 12.01	c1cc(cc(c1O)NC(NCCCCO)=O)S(N)(=O)=O
OpenEye OEToolkits 2.0.7	c1cc(c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O

Name:

4-hydroxy-3-{[(4-hydroxybutyl)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).