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BioLiP

PDB CCD ID: TE0
Number of entries in BioLiP: 7
Chemical formula: C8 H15 N O4 S
InChI: InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey: FXILSJTWIHHRJV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(CC)N1CCC(CC1)C(=O)O
CACTVS 3.385CC[S](=O)(=O)N1CCC(CC1)C(O)=O
OpenEye OEToolkits 2.0.7CCS(=O)(=O)N1CCC(CC1)C(=O)O
Name:1-(ethanesulfonyl)piperidine-4-carboxylic acid
ChEMBL: CHEMBL1905461
ZINC: ZINC000000259871
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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