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BioLiP

PDB CCD ID: 0VZ
Number of entries in BioLiP: 1
Chemical formula: C6 H11 N3 O4 S2
InChI: InChI=1S/C6H11N3O4S2/c1-2-13-5(10)4-3-14-6(8-4)9-15(7,11)12/h4H,2-3H2,1H3,(H,8,9)(H2,7,11,12)/t4-/m0/s1
InChIKey: JQTAIDJUEICDHW-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCOC(=O)[CH]1CSC(N1)=N[S](N)(=O)=O
CACTVS 3.370CCOC(=O)[C@@H]1CSC(N1)=N[S](N)(=O)=O
OpenEye OEToolkits 1.7.6CCOC(=O)C1CSC(=NS(=O)(=O)N)N1
OpenEye OEToolkits 1.7.6CCOC(=O)[C@@H]1CS/C(=N\S(=O)(=O)N)/N1
ACDLabs 12.01O=S(=O)(/N=C1\SCC(C(=O)OCC)N1)N
Name:ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
ZINC: ZINC000095921251

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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