SEQ2FUN

BioLiP

PDB CCD ID: A1CV6
Number of entries in BioLiP: 1
Chemical formula: C5 H10 N2 S
InChI: InChI=1S/C5H10N2S/c8-5-6-3-1-2-4-7-5/h1-4H2,(H2,6,7,8)
InChIKey: ZLJLVKBAMJHNJH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52
CACTVS 3.385		S=C1NCCCCN1
OpenEye OEToolkits 3.1.0.0C1CCNC(=S)NC1
Name:1,3-diazepane-2-thione
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).