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BioLiP Library

PDB CCD ID: O8U
Number of entries in BioLiP: 2
Chemical formula: C7 H9 N O
InChI: InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChIKey: BHAAPTBBJKJZER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)N
CACTVS 3.385COc1ccc(N)cc1
Name:4-methoxyaniline
ChEMBL: CHEMBL295652
ZINC: ZINC000004556034
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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