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BioLiP

PDB CCD ID: K42
Number of entries in BioLiP: 0
Chemical formula: C8 H11 N O2
InChI: InChI=1S/C8H11NO2/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,5-6,9H2
InChIKey: QSDOKFGRSJQNMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1O)OCCN
CACTVS 3.385NCCOc1ccc(O)cc1
Name:4-(2-azanylethoxy)phenol
ZINC: ZINC000033506784
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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