SEQ2FUN

BioLiP

PDB CCD ID: S0G
Number of entries in BioLiP: 1
Chemical formula: C10 H16 N4 O2
InChI: InChI=1S/C10H16N4O2/c1-13-8(11)7(9(15)12-10(13)16)14-5-3-2-4-6-14/h2-6,11H2,1H3,(H,12,15,16)
InChIKey: ABFVQIXFKQQEOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C(=C(N2CCCCC2)C(=O)NC1=O)N
ACDLabs 12.01O=C1C(=C(N)N(C(=O)N1)C)N2CCCCC2
OpenEye OEToolkits 1.7.6CN1C(=C(C(=O)NC1=O)N2CCCCC2)N
Name:6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
ChEMBL: CHEMBL3233607
ZINC: ZINC000003379396
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).