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BioLiP Library

PDB CCD ID: 96E
Number of entries in BioLiP: 2
Chemical formula: C10 H23 N O2
InChI: InChI=1S/C10H23NO2/c1-2-6-11(8-10-13)7-4-3-5-9-12/h12-13H,2-10H2,1H3
InChIKey: XJBJEDGBRSPREH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCN(CCCCCO)CCO
CACTVS 3.385CCCN(CCO)CCCCCO
Name:5-[2-hydroxyethyl(propyl)amino]pentan-1-ol
ZINC: ZINC000004578728
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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