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BioLiP

PDB CCD ID: RJ5
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O
InChI: InChI=1S/C12H12N2O/c1-15-11-4-2-9(3-5-11)10-6-7-14-12(13)8-10/h2-8H,1H3,(H2,13,14)
InChIKey: PGBMTNNEAWCSJZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)c2ccnc(c2)N
CACTVS 3.385COc1ccc(cc1)c2ccnc(N)c2
Name:4-(4-methoxyphenyl)pyridin-2-amine
ChEMBL: CHEMBL5075137
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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