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BioLiP

PDB CCD ID: LPU
Number of entries in BioLiP: 7
Chemical formula: C6 H13 N O3 S
InChI: InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
InChIKey: UPEFDWJLNXWMOW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)N1CCC(O)CC1
OpenEye OEToolkits 2.0.7CS(=O)(=O)N1CCC(CC1)O
ACDLabs 12.01OC1CCN(CC1)S(=O)(C)=O
Name:1-(methanesulfonyl)piperidin-4-ol
ZINC: ZINC000019780673
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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