SEQ2FUN

BioLiP

PDB CCD ID: PWP
Number of entries in BioLiP: 6
Chemical formula: C8 H5 F N2 O
InChI: InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
InChIKey: WCSMZAHKVXOYLH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1F)C(=O)NC=N2
ACDLabs 12.01N2C(c1cc(F)ccc1N=C2)=O
CACTVS 3.385Fc1ccc2N=CNC(=O)c2c1
Name:6-fluoroquinazolin-4(3H)-one
ChEMBL: CHEMBL1949843
ZINC: ZINC000016082604
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).