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BioLiP

PDB CCD ID: YEB
Number of entries in BioLiP: 1
Chemical formula: C6 H14 N2 O3 S
InChI: InChI=1S/C6H14N2O3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h3-6H2,1-2H3
InChIKey: OPFOHHASSCNHHQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N1CCOCC1)N(C)C
CACTVS 3.385CN(C)[S](=O)(=O)N1CCOCC1
OpenEye OEToolkits 2.0.7CN(C)S(=O)(=O)N1CCOCC1
Name:N,N-dimethylmorpholine-4-sulfonamide
ZINC: ZINC000001718240
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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