SEQ2FUN

BioLiP

PDB CCD ID: 6FR
Number of entries in BioLiP: 1
Chemical formula: C11 H21 N O2 S
InChI: InChI=1S/C11H21NO2S/c13-15(14,12-8-3-4-9-12)10-7-11-5-1-2-6-11/h11H,1-10H2
InChIKey: UAJGQMZYCCWBAX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1CCC(C1)CCS(=O)(=O)N2CCCC2
ACDLabs 12.01O=S(CCC1CCCC1)(=O)N2CCCC2
CACTVS 3.385O=[S](=O)(CCC1CCCC1)N2CCCC2
Name:1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine
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).