SEQ2FUN

BioLiP

PDB CCD ID: 3AW
Number of entries in BioLiP: 0
Chemical formula: C4 H7 N5
InChI: InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)
InChIKey: NJYZCEFQAIUHSD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(nc(nc1C)N)N
CACTVS 3.352Cc1nc(N)nc(N)n1
OpenEye OEToolkits 1.6.1Cc1nc(nc(n1)N)N
Name:6-METHYL-1,3,5-TRIAZINE-2,4-DIAMINE;
ACETOGUANAMINE
ChEMBL: CHEMBL1738722
ZINC: ZINC000001555389
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).