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BioLiP

PDB CCD ID: V1H
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N O3 S
InChI: InChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12-7-10(8-12)15-2/h3-6,10H,7-8H2,1-2H3
InChIKey: FVWRQPKSKSFJCP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC1CN(C1)[S](=O)(=O)c2ccc(C)cc2
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)N2CC(C2)OC
Name:3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine
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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