SEQ2FUN

BioLiP

PDB CCD ID: ITU
Number of entries in BioLiP: 21
Chemical formula: C3 H8 N2 S
InChI: InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
InChIKey: VFIZBHJTOHUOEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCSC(=N)N
CACTVS 3.341CCSC(N)=N
ACDLabs 10.04[N@H]=C(SCC)N
Name:ETHYLISOTHIOUREA
ChEMBL: CHEMBL321691
DrugBank: DB02234
ZINC: ZINC000003806245
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).