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BioLiP

PDB CCD ID: UR7
Number of entries in BioLiP: 5
Chemical formula: C8 H10 F N O2 S
InChI: InChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKey: BRGBJOARAPZJCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1F)CS(=O)(=O)N
CACTVS 3.385Cc1ccc(C[S](N)(=O)=O)cc1F
ACDLabs 12.01c1(cc(F)c(C)cc1)CS(N)(=O)=O
Name:1-(3-fluoro-4-methylphenyl)methanesulfonamide
ZINC: ZINC000082503857
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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