SEQ2FUN

BioLiP

PDB CCD ID: DCD
Number of entries in BioLiP: 8
Chemical formula: C5 H11 N S2
InChI: InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKey: LMBWSYZSUOEYSN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04S=C(S)N(CC)CC
CACTVS 3.341CCN(CC)C(S)=S
OpenEye OEToolkits 1.5.0CCN(CC)C(=S)S
Name:DIETHYLCARBAMODITHIOIC ACID
ChEMBL: CHEMBL961
DrugBank: DB02520
ZINC: ZINC000003633221
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).