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BioLiP

PDB CCD ID: QAU
Number of entries in BioLiP: 3
Chemical formula: C6 H7 N O3 S
InChI: InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4,8H,(H2,7,9,10)
InChIKey: OQPPWRYNXRWUAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(cc(c1)S(=O)(=O)N)O
CACTVS 3.385N[S](=O)(=O)c1cccc(O)c1
Name:3-oxidanylbenzenesulfonamide
ZINC: ZINC000032296855
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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