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BioLiP

PDB CCD ID: S2S
Number of entries in BioLiP: 2
Chemical formula: C8 H10 N2 O3 S
InChI: InChI=1S/C8H10N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)
InChIKey: DVCWUTSWCVQZSC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)Nc1ccc(cc1)C(N)=O
OpenEye OEToolkits 2.0.6CS(=O)(=O)Nc1ccc(cc1)C(=O)N
Name:4-(methylsulfonylamino)benzamide
ZINC: ZINC000000571755
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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