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BioLiP

PDB CCD ID: 5OK
Number of entries in BioLiP: 1
Chemical formula: C17 H14 N2 O4 S
InChI: InChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)/b12-5+
InChIKey: QRPSQQUYPMFERG-LFYBBSHMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)C=CC#Cc1cccc(N[S](=O)(=O)c2ccccc2)c1
OpenEye OEToolkits 2.0.4c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#C/C=C/C(=O)NO
CACTVS 3.385ONC(=O)/C=C/C#Cc1cccc(N[S](=O)(=O)c2ccccc2)c1
OpenEye OEToolkits 2.0.4c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#CC=CC(=O)NO
Name:Oxamflatin
ChEMBL: CHEMBL98245
ZINC: ZINC000003826235
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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