SEQ2FUN

BioLiP

PDB CCD ID: A1CXA
Number of entries in BioLiP: 1
Chemical formula: C10 H19 N O2 S
InChI: InChI=1S/C10H19NO2S/c12-14(13)7-5-11(6-8-14)9-10-3-1-2-4-10/h10H,1-9H2
InChIKey: HRAPZHPUUXWUTA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=[S]1(=O)CCN(CC1)CC2CCCC2
OpenEye OEToolkits 3.1.0.0C1CCC(C1)CN2CCS(=O)(=O)CC2
ACDLabs 14.52O=S1(=O)CCN(CC2CCCC2)CC1
Name:4-(cyclopentylmethyl)-1lambda~6~-thiomorpholine-1,1-dione
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).