SEQ2FUN

BioLiP

PDB CCD ID: 3AY
Number of entries in BioLiP: 5
Chemical formula: C4 H7 N5
InChI: InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
InChIKey: JTTIOYHBNXDJOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(nc(nc1N)N)N
ACDLabs 10.04n1c(N)cc(nc1N)N
CACTVS 3.341Nc1cc(N)nc(N)n1
Name:PYRIMIDINE-2,4,6-TRIAMINE
ChEMBL: CHEMBL571518
ZINC: ZINC000001511101
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).