BioLiP

PDB

BioLiP

PDB CCD ID:

A1IT0

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O4 S

InChI:

InChI=1S/C8H15NO4S/c1-14(12,13)9-8(7(10)11)5-3-2-4-6-8/h9H,2-6H2,1H3,(H,10,11)

InChIKey:

RCNDFOGWOOSJJO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[S](=O)(=O)NC1(CCCCC1)C(O)=O
OpenEye OEToolkits 2.0.7	CS(=O)(=O)NC1(CCCCC1)C(=O)O

Name:

1-(methylsulfonylamino)cyclohexane-1-carboxylic 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).