SEQ2FUN

BioLiP

PDB CCD ID: A1D7O
Number of entries in BioLiP: 12
Chemical formula: C13 H17 N O
InChI: InChI=1S/C13H17NO/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m1/s1
InChIKey: BSBVJNUGGBQEPO-LLVKDONJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C[C@@H]1CCN(CC1=O)Cc2ccccc2
OpenEye OEToolkits 2.0.7CC1CCN(CC1=O)Cc2ccccc2
CACTVS 3.385C[CH]1CCN(CC1=O)Cc2ccccc2
Name:(4~{R})-4-methyl-1-(phenylmethyl)piperidin-3-one
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).