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BioLiP

PDB CCD ID: TOU
Number of entries in BioLiP: 7
Chemical formula: C H4 N2 S
InChI: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
InChIKey: UMGDCJDMYOKAJW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=S)(N)N
CACTVS 3.341NC(N)=S
ACDLabs 10.04S=C(N)N
Name:THIOUREA
ChEMBL: CHEMBL260876
ZINC: ZINC000008437745
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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