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BioLiP

PDB CCD ID: LKI
Number of entries in BioLiP: 1
Chemical formula: C12 H11 Cl N2 O2 S
InChI: InChI=1S/C12H11ClN2O2S/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11/h2-8,15H,1H3
InChIKey: XFTYNEPZRSHDOA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccncc1NS(=O)(=O)c2cccc(c2)Cl
ACDLabs 12.01O=S(=O)(Nc1cnccc1C)c1cccc(Cl)c1
CACTVS 3.385Cc1ccncc1N[S](=O)(=O)c2cccc(Cl)c2
Name:3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide
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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