BioLiP

PDB

BioLiP

PDB CCD ID:

WL7

Number of entries in BioLiP:

Chemical formula:

C9 H14 N2 O3 S

InChI:

InChI=1S/C9H14N2O3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7,10H2,1H3

InChIKey:

IFBDYRCQPHERQI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(CCO)S(=O)(=O)c1ccc(cc1)N
CACTVS 3.385	CN(CCO)[S](=O)(=O)c1ccc(N)cc1
ACDLabs 12.01	c1c(ccc(c1)N)S(N(C)CCO)(=O)=O

Name:

4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide

ZINC:

ZINC000000211528

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).