SEQ2FUN

BioLiP

PDB CCD ID: L3N
Number of entries in BioLiP: 2
Chemical formula: C8 H6 N2 O2
InChI: InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChIKey: SDQJTWBNWQABLE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)NC(=O)N2
CACTVS 3.385O=C1NC(=O)c2ccccc2N1
Name:1~{H}-quinazoline-2,4-dione
ChEMBL: CHEMBL421646
ZINC: ZINC000000150158
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).