BioLiP

PDB

BioLiP

PDB CCD ID:

ASZ

Number of entries in BioLiP:

Chemical formula:

C4 H11 N O3 S

InChI:

InChI=1S/C4H11NO3S/c1-5(2)3-4-9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)

InChIKey:

CFAFEJHONLMPQY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CN(C)CCS(=O)(=O)O
CACTVS 3.352	CN(C)CC[S](O)(=O)=O
ACDLabs 10.04	O=S(=O)(O)CCN(C)C

Name:

2-(DIMETHYLAMINO)ETHANESULFONIC ACID

ZINC:

ZINC000001671858

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).