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BioLiP Library

PDB CCD ID: 9FT
Number of entries in BioLiP: 3
Chemical formula: C12 H13 N O3
InChI: InChI=1S/C12H13NO3/c1-16-9-4-2-8(3-5-9)10-6-7-11(14)13-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,14,15)/t10-/m1/s1
InChIKey: UTEUBBDWRDGRCU-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(cc1)[CH]2CCC(=O)NC2=O
ACDLabs 12.01O=C1NC(=O)CCC1c1ccc(OC)cc1
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C2CCC(=O)NC2=O
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COc1ccc(cc1)[C@H]2CCC(=O)NC2=O
Name:(3R)-3-(4-methoxyphenyl)piperidine-2,6-dione
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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