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BioLiP Library

PDB CCD ID: ZFI
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O3 S
InChI: InChI=1S/C9H11NO3S/c1-7(11)10-8-5-3-4-6-9(8)14(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKey: NGWCPCSZLLJKPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccccc1S(=O)(=O)C
CACTVS 3.385CC(=O)Nc1ccccc1[S](C)(=O)=O
ACDLabs 12.01O=S(C)(=O)c1ccccc1NC(C)=O
Name:N-[2-(methanesulfonyl)phenyl]acetamide
ZINC: ZINC000000346135
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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