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BioLiP

PDB CCD ID: Y78
Number of entries in BioLiP: 3
Chemical formula: C17 H18 N4 O
InChI: InChI=1S/C17H18N4O/c1-11-4-7-14(8-5-11)17-19-16(13(3)20-21-17)18-10-15-9-6-12(2)22-15/h4-9H,10H2,1-3H3,(H,18,19,21)
InChIKey: FSPDKAUYNLMGSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)c2nc(c(nn2)C)NCc3ccc(o3)C
CACTVS 3.385Cc1oc(CNc2nc(nnc2C)c3ccc(C)cc3)cc1
Name:6-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1,2,4-triazin-5-amine
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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