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BioLiP Library

PDB CCD ID: 3MA
Number of entries in BioLiP: 3
Chemical formula: C6 H8 N5
InChI: InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,1H3,(H2,7,8,9)/p+1
InChIKey: YLIQVEPMZVVUEK-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
ACDLabs 10.04n2c[n+](c1c(ncn1)c2N)C
CACTVS 3.341C[n+]1cnc(N)c2nc[nH]c12
OpenEye OEToolkits 1.5.0C[n+]1cnc(c2c1[nH]cn2)N
Name:6-AMINO-3-METHYLPURINE
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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