SEQ2FUN

BioLiP

PDB CCD ID: IS9
Number of entries in BioLiP: 1
Chemical formula: C3 H7 N S2
InChI: InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)
InChIKey: MZGNSEAPZQGJRB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)C(S)=S
OpenEye OEToolkits 2.0.7CN(C)C(=S)S
Name:dimethylcarbamodithioic acid
ChEMBL: CHEMBL1208358
ZINC: ZINC000001693329
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).