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BioLiP

PDB CCD ID: 0VX
Number of entries in BioLiP: 1
Chemical formula: C3 H7 N3 O3 S
InChI: InChI=1S/C3H7N3O3S/c4-10(7,8)6-3-5-1-2-9-3/h1-2H2,(H,5,6)(H2,4,7,8)
InChIKey: DZVNFECQEPNTMT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[S](=O)(=O)N=C1NCCO1
ACDLabs 12.01O=S(=O)(/N=C1\OCCN1)N
OpenEye OEToolkits 1.7.6C1COC(=NS(=O)(=O)N)N1
OpenEye OEToolkits 1.7.6C1CO/C(=N\S(=O)(=O)N)/N1
Name:N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide
ZINC: ZINC000039121673
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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