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BioLiP

PDB CCD ID: LDI
Number of entries in BioLiP: 1
Chemical formula: C15 H23 N3 O2
InChI: InChI=1S/C15H23N3O2/c19-15(17-20)14-6-9-18(10-7-14)11-8-16-12-13-4-2-1-3-5-13/h1-5,14,16,20H,6-12H2,(H,17,19)
InChIKey: IKRHDIZZKCLEPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNCCN2CCC(CC2)C(=O)NO
ACDLabs 12.01
CACTVS 3.385		ONC(=O)C1CCN(CCNCc2ccccc2)CC1
Name:1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-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).
  • 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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