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BioLiP

PDB CCD ID: A1BFU
Number of entries in BioLiP: 1
Chemical formula: C8 H16 N2 O3 S
InChI: InChI=1S/C8H16N2O3S/c1-13-8-6-10(7-8)14(11,12)9-4-2-3-5-9/h8H,2-7H2,1H3
InChIKey: KONUKKZPOYOKNK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COC1CN(C1)S(=O)(=O)N2CCCC2
ACDLabs 14.52O=S(=O)(N1CC(OC)C1)N1CCCC1
CACTVS 3.385COC1CN(C1)[S](=O)(=O)N2CCCC2
Name:1-(3-methoxyazetidine-1-sulfonyl)pyrrolidine
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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