SEQ2FUN

BioLiP

PDB CCD ID: FIQ
Number of entries in BioLiP: 2
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c1-10-7(11)4-6(5-2-3-5)9-8(10)12/h4-5H,2-3H2,1H3,(H,9,12)
InChIKey: SJCKLNPJUZKFGN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1C(=O)C=C(NC1=O)C2CC2
CACTVS 3.385CN1C(=O)NC(=CC1=O)C2CC2
Name:6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione
ChEMBL: CHEMBL5201513
ZINC: ZINC000166594261
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).