SEQ2FUN

BioLiP

PDB CCD ID: I4S
Number of entries in BioLiP: 1
Chemical formula: C5 H7 N3 O
InChI: InChI=1S/C5H7N3O/c1-3-5(9)6-4(2)8-7-3/h1-2H3,(H,6,8,9)
InChIKey: WZMOVTWDPULYIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=NNC(=NC1=O)C
CACTVS 3.385CC1=NC(=O)C(=NN1)C
Name:3,6-dimethyl-2~{H}-1,2,4-triazin-5-one
ChEMBL: CHEMBL5179458
ZINC: ZINC000032190994
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).