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BioLiP Library

PDB CCD ID: UGN
Number of entries in BioLiP: 1
Chemical formula: C15 H24 N2 O2 S
InChI: InChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKey: VDISKSVXKJQHCZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C
CACTVS 3.385CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2
Name:1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
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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