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BioLiP

PDB CCD ID: 0VY
Number of entries in BioLiP: 1
Chemical formula: C5 H12 N4 O2 S
InChI: InChI=1S/C5H12N4O2S/c6-5(8-12(7,10)11)9-3-1-2-4-9/h1-4H2,(H2,6,8)(H2,7,10,11)
InChIKey: RHOZLXBMABFVBY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CCN(C1)/C(=N/S(=O)(=O)N)/N
ACDLabs 12.01O=S(=O)(/N=C(\N)N1CCCC1)N
OpenEye OEToolkits 1.7.6C1CCN(C1)C(=NS(=O)(=O)N)N
CACTVS 3.370NC(=N[S](N)(=O)=O)N1CCCC1
Name:N'-sulfamoylpyrrolidine-1-carboximidamide
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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