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BioLiP

PDB CCD ID: HX6
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O4 S
InChI: InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20)
InChIKey: ZYVHYCNSGQRCBB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)C(=O)NO
CACTVS 3.385N[S](=O)(=O)c1ccc(Cc2ccc(cc2)C(=O)NO)cc1
Name:N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide
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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