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BioLiP

PDB CCD ID: JFX
Number of entries in BioLiP: 1
Chemical formula: C12 H16 F N3 O2 S
InChI: InChI=1S/C12H16FN3O2S/c1-9-11-8-10(4-5-12(11)15-14-9)16-19(17,18)7-3-2-6-13/h4-5,8,16H,2-3,6-7H2,1H3,(H,14,15)
InChIKey: AHVAAGWAEHSRBU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1n[nH]c2ccc(N[S](=O)(=O)CCCCF)cc12
OpenEye OEToolkits 2.0.7Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF
ACDLabs 12.01Cc2c1c(ccc(c1)NS(CCCCF)(=O)=O)nn2
Name:4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide
ChEMBL: CHEMBL5181555
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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