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BioLiP

PDB CCD ID: FZW
Number of entries in BioLiP: 1
Chemical formula: C28 H20 F3 N7 O
InChI: InChI=1S/C28H20F3N7O/c1-17-9-10-18(26(39)34-22-8-2-7-21(14-22)28(29,30)31)13-23(17)35-27-37-24(19-5-3-11-32-15-19)36-25(38-27)20-6-4-12-33-16-20/h2-16H,1H3,(H,34,39)(H,35,36,37,38)
InChIKey: FQDJXKXBKFLPSH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F
Name:3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
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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