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BioLiP Library

PDB CCD ID: 6RO
Number of entries in BioLiP: 2
Chemical formula: C7 H8 Cl N O2 S
InChI: InChI=1S/C7H8ClNO2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey: TZBQEYJPVLKASB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)Nc1ccc(Cl)cc1
OpenEye OEToolkits 2.0.5CS(=O)(=O)Nc1ccc(cc1)Cl
Name:~{N}-(4-chlorophenyl)methanesulfonamide
ZINC: ZINC000000093610
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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