BioLiP

PDB

BioLiP

PDB CCD ID:

TSM

Number of entries in BioLiP:

Chemical formula:

C4 H10 O3 S

InChI:

InChI=1S/C4H10O3S/c1-4(2,3)8(5,6)7/h1-3H3,(H,5,6,7)

InChIKey:

XCJGLBWDZKLQCY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(O)C(C)(C)C
CACTVS 3.370	CC(C)(C)[S](O)(=O)=O
OpenEye OEToolkits 1.7.0	CC(C)(C)S(=O)(=O)O

Name:

2-methylpropane-2-sulfonic acid

ZINC:

ZINC000001602578

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).