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BioLiP

PDB CCD ID: UG8
Number of entries in BioLiP: 1
Chemical formula: C12 H15 N O3 S
InChI: InChI=1S/C12H15NO3S/c14-10-11-4-6-12(7-5-11)17(15,16)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChIKey: KUSDDEPOUVZOCG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2
CACTVS 3.385O=Cc1ccc(cc1)[S](=O)(=O)N2CCCCC2
Name:4-piperidin-1-ylsulfonylbenzaldehyde
ZINC: ZINC000032501227
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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