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BioLiP

PDB CCD ID: 8OF
Number of entries in BioLiP: 4
Chemical formula: C16 H14 N2 O
InChI: InChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18)
InChIKey: XEXJCSNBUIARJF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(Nc2ccnc3ccccc23)cc1
OpenEye OEToolkits 2.0.6COc1ccc(cc1)Nc2ccnc3c2cccc3
Name:N-(4-methoxyphenyl)quinolin-4-amine
ChEMBL: CHEMBL1622847
ZINC: ZINC000000175584
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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