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BioLiP

PDB CCD ID: 5OG
Number of entries in BioLiP: 2
Chemical formula: C15 H14 N2 O4 S
InChI: InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
InChIKey: NCNRHFGMJRPRSK-MDZDMXLPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)NS(=O)(=O)c2cccc(c2)C=CC(=O)NO
OpenEye OEToolkits 2.0.4c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO
CACTVS 3.385ONC(=O)\C=C\c1cccc(c1)[S](=O)(=O)Nc2ccccc2
CACTVS 3.385ONC(=O)C=Cc1cccc(c1)[S](=O)(=O)Nc2ccccc2
Name:Belinostat
ChEMBL: CHEMBL408513
DrugBank: DB05015
ZINC: ZINC000003818726
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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