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BioLiP Library

PDB CCD ID: BJK
Number of entries in BioLiP: 1
Chemical formula: C8 H12 N O2
InChI: InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3/p+1
InChIKey: HJIDMVZCXORAIG-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(C[NH3+])cc1O
OpenEye OEToolkits 2.0.6COc1ccc(cc1O)C[NH3+]
Name:(4-methoxy-3-oxidanyl-phenyl)methylazanium
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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