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BioLiP Library

PDB CCD ID: UE0
Number of entries in BioLiP: 1
Chemical formula: C15 H19 N O3
InChI: InChI=1S/C15H19NO3/c1-11-4-6-13(7-5-11)15(14(18)19)8-3-9-16(10-15)12(2)17/h4-7H,3,8-10H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKey: FZGIXDHLUQHJKF-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N1CCC[C@](C1)(C(O)=O)c2ccc(C)cc2
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)[C@]2(CCCN(C2)C(=O)C)C(=O)O
CACTVS 3.385CC(=O)N1CCC[C](C1)(C(O)=O)c2ccc(C)cc2
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)C2(CCCN(C2)C(=O)C)C(=O)O
Name:(3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid
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)(download the PDF file).
  • 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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