SEQ2FUN

BioLiP

PDB CCD ID: EXU
Number of entries in BioLiP: 8
Chemical formula: C8 H10 N4 O3
InChI: InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)
InChIKey: BYXCFUMGEBZDDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
CACTVS 3.385CN1C(=O)N(C)C2=C(N(C)C(=O)N2)C1=O
Name:1,3,7-trimethyl-9H-purine-2,6,8-trione
ChEMBL: CHEMBL1767
ZINC: ZINC000100034211
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).