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BioLiP

PDB CCD ID: A1LU2
Number of entries in BioLiP: 3
Chemical formula: C15 H17 N O3
InChI: InChI=1S/C15H17NO3/c17-13-4-1-11(2-5-13)7-8-16-10-12-3-6-14(18)15(19)9-12/h1-6,9,16-19H,7-8,10H2
InChIKey: YJYUDTAJVLORNV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(CCNCc2ccc(O)c(O)c2)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1CCNCc2ccc(c(c2)O)O)O
Name:Norbelladine
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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