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BioLiP

PDB CCD ID: HS4
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O4 S
InChI: InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
InChIKey: NKGRTRASISLCCZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=NC(=O)CNS(=O)(=O)c2ccc(c1ccccc1)cc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCC(=O)NO
CACTVS 3.385ONC(=O)CN[S](=O)(=O)c1ccc(cc1)c2ccccc2
Name:N-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide
ChEMBL: CHEMBL550148
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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