SEQ2FUN

BioLiP

PDB CCD ID: A1CWN
Number of entries in BioLiP: 1
Chemical formula: C6 H9 N3 S2
InChI: InChI=1S/C6H9N3S2/c7-9-6(10)8-4-5-2-1-3-11-5/h1-3H,4,7H2,(H2,8,9,10)
InChIKey: NBBHGLQLAPFLFP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52S=C(NCc1cccs1)NN
OpenEye OEToolkits 3.1.0.0c1cc(sc1)CNC(=S)NN
CACTVS 3.385NNC(=S)NCc1sccc1
Name:N-[(thiophen-2-yl)methyl]hydrazinecarbothioamide
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).