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BioLiP

PDB CCD ID: W5T
Number of entries in BioLiP: 1
Chemical formula: C14 H19 Cl N2 O3 S
InChI: InChI=1S/C14H19ClN2O3S/c1-11(18)16-10-12-6-8-17(9-7-12)21(19,20)14-4-2-13(15)3-5-14/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKey: TUFYUMNYEVIILH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)NCC1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl
CACTVS 3.385CC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(Cl)cc2
Name:~{N}-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide
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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