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BioLiP Library

PDB CCD ID: 5UW
Number of entries in BioLiP: 1
Chemical formula: C20 H26 N2
InChI: InChI=1S/C20H26N2/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)13-16-22-19-11-14-21-15-12-19/h1-10,19-22H,11-16H2
InChIKey: XSQZAMQEHSISJA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3
CACTVS 3.385C1CC(CCN1)NCCC(c2ccccc2)c3ccccc3
Name:~{N}-(3,3-diphenylpropyl)piperidin-4-amine
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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