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BioLiP

PDB CCD ID: 0VW
Number of entries in BioLiP: 1
Chemical formula: C4 H10 N4 O2 S
InChI: InChI=1S/C4H10N4O2S/c5-11(9,10)8-4-6-2-1-3-7-4/h1-3H2,(H2,5,9,10)(H2,6,7,8)
InChIKey: WLZUIFLLOQXTPI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CNC(=NS(=O)(=O)N)NC1
ACDLabs 12.01O=S(=O)(/N=C1\NCCCN1)N
CACTVS 3.370N[S](=O)(=O)N=C1NCCCN1
Name:N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide
ZINC: ZINC000095921355
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).
  • 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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