BioLiP

PDB

BioLiP

PDB CCD ID:

8BT

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O2 S

InChI:

InChI=1S/C6H13NO2S/c1-10(8,9)7-6-4-2-3-5-6/h6-7H,2-5H2,1H3

InChIKey:

IJXUJLYIQLLJEP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[S](=O)(=O)NC1CCCC1
OpenEye OEToolkits 2.0.7	CS(=O)(=O)NC1CCCC1
ACDLabs 12.01	O=S(=O)(C)NC1CCCC1

Name:

N-cyclopentylmethanesulfonamide

ZINC:

ZINC000000304622

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).