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BioLiP

PDB CCD ID: TE5
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3 O
InChI: InChI=1S/C11H11N3O/c1-15-10-7-9(13-11(12)14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14)
InChIKey: NVXGRADJIFIBIO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(nc(n1)N)c2ccccc2
CACTVS 3.385COc1cc(nc(N)n1)c2ccccc2
Name:4-methoxy-6-phenyl-pyrimidin-2-amine;
4-methoxy-6-phenylpyrimidin-2-ylamine;
4-methoxy-6-phenylpyrimidin-2-amine
ChEMBL: CHEMBL1415245
ZINC: ZINC000000040343
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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