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BioLiP

PDB CCD ID: 5ZE
Number of entries in BioLiP: 2
Chemical formula: C6 H9 N3
InChI: InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey: IDQNBVFPZMCDDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(C)nc(N)n1
OpenEye OEToolkits 1.7.6Cc1cc(nc(n1)N)C
ACDLabs 12.01n1c(cc(nc1N)C)C
Name:4,6-dimethylpyrimidin-2-amine
ChEMBL: CHEMBL4546836
ZINC: ZINC000000163774
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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