SEQ2FUN

BioLiP

PDB CCD ID: OYK
Number of entries in BioLiP: 7
Chemical formula: C7 H9 N5
InChI: InChI=1S/C7H9N5/c1-8-6-5-7(10-3-9-6)12(2)4-11-5/h3-4H,1-2H3,(H,8,9,10)
InChIKey: GRDLXXJSRHDATN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1ncnc2n(C)cnc12
OpenEye OEToolkits 2.0.7CNc1c2c(ncn1)n(cn2)C
Name:~{N},9-dimethylpurin-6-amine
ChEMBL: CHEMBL5179548
ZINC: ZINC000001680635
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).