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BioLiP

PDB CCD ID: T9Z
Number of entries in BioLiP: 1
Chemical formula: C15 H18 N O2
InChI: InChI=1S/C15H17NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-6,17H,7-11H2/p+1
InChIKey: XJKMEOFFCYJCGT-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ccc(c2O)C[NH+]3CCOCC3
CACTVS 3.385Oc1c(C[NH+]2CCOCC2)ccc3ccccc13
Name:2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol
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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