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BioLiP

PDB CCD ID: DSJ
Number of entries in BioLiP: 4
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,9H2,1H3
InChIKey: QQZFVONVJPXCSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)c1ccc(cc1O)N
ACDLabs 12.01c1(O)cc(ccc1C(=O)C)N
CACTVS 3.385CC(=O)c1ccc(N)cc1O
Name:1-(4-amino-2-hydroxyphenyl)ethan-1-one
ZINC: ZINC000000157818
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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