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BioLiP

PDB CCD ID: V51
Number of entries in BioLiP: 1
Chemical formula: C16 H18 F4 N2 O2 S
InChI: InChI=1S/C16H18F4N2O2S/c17-10-12(19)15(25(21,23)24)13(20)11(18)14(10)22-16-4-7-1-8(5-16)3-9(2-7)6-16/h7-9,22H,1-6H2,(H2,21,23,24)/t7-,8+,9-,16-
InChIKey: JWHCFABOVLDALW-IGOHWLOGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F
CACTVS 3.385N[S](=O)(=O)c1c(F)c(F)c(NC23CC4CC(CC(C4)C2)C3)c(F)c1F
Name:4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
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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