SEQ2FUN

BioLiP

PDB CCD ID: IT2
Number of entries in BioLiP: 1
Chemical formula: C5 H9 N O S2
InChI: InChI=1S/C5H9NOS2/c8-5(9)6-1-3-7-4-2-6/h1-4H2,(H,8,9)
InChIKey: NRMQMTQTYONMFY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1COCCN1C(=S)S
CACTVS 3.370SC(=S)N1CCOCC1
ACDLabs 12.01S=C(S)N1CCOCC1
Name:morpholine-4-carbodithioic acid
ChEMBL: CHEMBL2009938
ZINC: ZINC000001673015
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).