SEQ2FUN

BioLiP

PDB CCD ID: I3V
Number of entries in BioLiP: 1
Chemical formula: C5 H7 N3 O2
InChI: InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10)
InChIKey: FNSSATCDUXTALE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C(=O)NC(=O)N1)N
CACTVS 3.385CC1=C(N)C(=O)NC(=O)N1
Name:5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione
ChEMBL: CHEMBL5180641
ZINC: ZINC000000399478
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).