SEQ2FUN

BioLiP

PDB CCD ID: I5Z
Number of entries in BioLiP: 2
Chemical formula: C7 H8 N2 O2
InChI: InChI=1S/C7H8N2O2/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11)
InChIKey: ABHXYFPEQCXJJJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC1C2=CC(=O)NC(=O)N2
CACTVS 3.385O=C1NC(=O)C=C(N1)C2CC2
Name:6-cyclopropyl-1H-pyrimidine-2,4-dione
ChEMBL: CHEMBL5192478
ZINC: ZINC000096300508
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).