SEQ2FUN

BioLiP

PDB CCD ID: 93B
Number of entries in BioLiP: 1
Chemical formula: C4 H8 N2 S
InChI: InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
InChIKey: NVHNGVXBCWYLFA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1CNC(=S)NC1
CACTVS 3.385S=C1NCCCN1
Name:1,3-diazinane-2-thione
ChEMBL: CHEMBL11938
ZINC: ZINC000006661066
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).