SEQ2FUN

BioLiP

PDB CCD ID: M3E
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N2 O2
InChI: InChI=1S/C10H8N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKey: NCSMAVULYUCSMB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=CC(=O)NC(=O)N2
CACTVS 3.385O=C1NC(=O)C=C(N1)c2ccccc2
Name:6-phenyl-1~{H}-pyrimidine-2,4-dione
ChEMBL: CHEMBL3288032
ZINC: ZINC000000083106
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).