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BioLiP

PDB CCD ID: C53
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N3 O S
InChI: InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)/b7-5+
InChIKey: LHGOQMPIWSCKBA-FNORWQNLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N=C1NC(=O)C(S1)=Cc2ccccn2
OpenEye OEToolkits 1.5.0[H]/N=C\1/NC(=O)/C(=C\c2ccccn2)/S1
CACTVS 3.341N=C1NC(=O)C(\S1)=C/c2ccccn2
ACDLabs 10.04O=C1C(/SC(=[N@H])N1)=C\c2ncccc2
OpenEye OEToolkits 1.5.0[H]N=C1NC(=O)C(=Cc2ccccn2)S1
Name:2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE
DrugBank: DB07529
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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