BioLiP

PDB

BioLiP

PDB CCD ID:

A1H79

Number of entries in BioLiP:

Chemical formula:

C6 H15 N O5 S

InChI:

InChI=1S/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)

InChIKey:

AJTVSSFTXWNIRG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CO)N(CCO)CCS(=O)(=O)O
CACTVS 3.385	OCCN(CCO)CC[S](O)(=O)=O

Name:

BES buffer;
2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid

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).