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BioLiP

PDB CCD ID: V0T
Number of entries in BioLiP: 1
Chemical formula: C12 H17 N O4 S
InChI: InChI=1S/C12H17NO4S/c14-9-10-1-3-12(4-2-10)18(16,17)13-7-5-11(15)6-8-13/h1-4,11,14-15H,5-9H2
InChIKey: AXVJFUKVQJSRAS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1ccc(cc1)[S](=O)(=O)N2CCC(O)CC2
OpenEye OEToolkits 2.0.7c1cc(ccc1CO)S(=O)(=O)N2CCC(CC2)O
Name:1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol
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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