SEQ2FUN

BioLiP

PDB CCD ID: E7R
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N4 O2
InChI: InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3
InChIKey: HGFWMGARSDHJFP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCn1cnc2c1C(=O)N(C(=O)N2C)C
CACTVS 3.385CCCn1cnc2N(C)C(=O)N(C)C(=O)c12
Name:1,3-dimethyl-7-propyl-purine-2,6-dione
ChEMBL: CHEMBL26455
ZINC: ZINC000000380547
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).