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BioLiP

PDB CCD ID: 3UG
Number of entries in BioLiP: 2
Chemical formula: C11 H12 F4 N2 O2 S
InChI: InChI=1S/C11H12F4N2O2S/c12-6-8(14)11(20(16,18)19)9(15)7(13)10(6)17-4-2-1-3-5-17/h1-5H2,(H2,16,18,19)
InChIKey: VVFJHOCIYNHEFY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F
CACTVS 3.385N[S](=O)(=O)c1c(F)c(F)c(N2CCCCC2)c(F)c1F
ACDLabs 12.01O=S(=O)(N)c1c(F)c(F)c(c(F)c1F)N2CCCCC2
Name:2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide
ChEMBL: CHEMBL3797893
ZINC: ZINC000263621146
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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