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BioLiP

PDB CCD ID: TZK
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N O3 S
InChI: InChI=1S/C11H15NO3S/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3
InChIKey: NBTTYMBZXDHFCP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)N2CCOCC2
CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)N2CCOCC2
Name:4-(4-methylphenyl)sulfonylmorpholine
ZINC: ZINC000000028343
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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