BioLiP

PDB

BioLiP

PDB CCD ID:

LUQ

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O4 S

InChI:

InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)

InChIKey:

DBXNUXBLKRLWFA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)CNCC[S](O)(=O)=O
OpenEye OEToolkits 2.0.7	C(CS(=O)(=O)O)NCC(=O)N

Name:

N-(2-acetamido)-2-aminoethanesulfonic acid;
N-(Carbamoylmethyl)taurine

ZINC:

ZINC000001659811

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).