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BioLiP

PDB CCD ID: IXG
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N6
InChI: InChI=1S/C14H14N6/c1-20(9-5-3-2-4-6-9)10-7-11-12(15)18-14(16)19-13(11)17-8-10/h2-8H,1H3,(H4,15,16,17,18,19)
InChIKey: GPOMGDQKAATFBU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CN(c1ccccc1)c2cnc3nc(N)nc(N)c3c2
ACDLabs 12.01n1cc(cc2c1nc(nc2N)N)N(c3ccccc3)C
OpenEye OEToolkits 1.7.6CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N
Name:N~6~-methyl-N~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine
ChEMBL: CHEMBL2382326
ZINC: ZINC000095921391
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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