SEQ2FUN

BioLiP

PDB CCD ID: ZSM
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N4 S2
InChI: InChI=1S/C10H14N4S2/c11-9(12)15-5-7-1-2-8(4-3-7)6-16-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14)
InChIKey: PWMGHDCLHPWGBX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=N)SCc1ccc(CSC(N)=N)cc1
ACDLabs 12.01N=C(N)SCc1ccc(CSC(=N)N)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1CSC(=N)N)CSC(=N)N
Name:(1,4-phenylene)bis(methylene) dicarbamimidothioate
ChEMBL: CHEMBL501448
ZINC: ZINC000003845289
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).