SEQ2FUN

BioLiP

PDB CCD ID: JPZ
Number of entries in BioLiP: 5
Chemical formula: C8 H6 N2 O
InChI: InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
InChIKey: QMNUDYFKZYBWQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O=C1N=CNc2ccccc12
ACDLabs 12.01O=C2N=CNc1ccccc12
OpenEye OEToolkits 1.7.0c1ccc2c(c1)C(=O)N=CN2
Name:quinazolin-4(1H)-one
ChEMBL: CHEMBL266540
ZINC: ZINC000017970819
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).