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BioLiP

PDB CCD ID: 5XT
Number of entries in BioLiP: 1
Chemical formula: C18 H15 N O4 S
InChI: InChI=1S/C18H15NO4S/c20-17-11-8-15(12-18(17)21)19-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,19-21H
InChIKey: OGGBNPCRZSBOOJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O
CACTVS 3.385Oc1ccc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)cc1O
Name:~{N}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide
ZINC: ZINC000584905289
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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