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BioLiP Library

PDB CCD ID: 93H
Number of entries in BioLiP: 3
Chemical formula: C17 H21 N O3
InChI: InChI=1S/C17H21NO3/c1-21-15-5-2-13(3-6-15)8-10-18-11-9-14-4-7-16(19)17(20)12-14/h2-7,12,18-20H,8-11H2,1H3
InChIKey: YUWZXUMQIZRXEN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(CCNCCc2ccc(O)c(O)c2)cc1
OpenEye OEToolkits 2.0.6COc1ccc(cc1)CCNCCc2ccc(c(c2)O)O
Name:4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol
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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