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BioLiP

PDB CCD ID: UAK
Number of entries in BioLiP: 1
Chemical formula: C15 H22 N2 O
InChI: InChI=1S/C15H22N2O/c1-12-8-10-17(11-9-12)15(18)16-13(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKey: PSSJJOIQPKCPGY-CYBMUJFWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1CCN(CC1)C(=O)N[C@H](C)c2ccccc2
OpenEye OEToolkits 2.0.7CC1CCN(CC1)C(=O)NC(C)c2ccccc2
CACTVS 3.385CC1CCN(CC1)C(=O)N[CH](C)c2ccccc2
Name:4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide
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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