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BioLiP

PDB CCD ID: T4G
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N5
InChI: InChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21)
InChIKey: SORFNYWLKDSNNF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c(nnc(c1cc(nc(c1)C)C)c2c3ccccc3)N
OpenEye OEToolkits 1.7.6Cc1cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3
CACTVS 3.370Cc1cc(cc(C)n1)c2nnc(N)nc2c3ccccc3
Name:6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
ChEMBL: CHEMBL2024115
ZINC: ZINC000084602040
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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