SEQ2FUN

BioLiP

PDB CCD ID: PWM
Number of entries in BioLiP: 6
Chemical formula: C8 H5 F N2 O
InChI: InChI=1S/C8H5FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)
InChIKey: UXEZULVIMJVIFB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(c(c1)F)C(=O)NC=N2
ACDLabs 12.01N1C(=O)c2c(N=C1)cccc2F
CACTVS 3.385Fc1cccc2N=CNC(=O)c12
Name:5-fluoroquinazolin-4(3H)-one
ChEMBL: CHEMBL1949840
ZINC: ZINC000016159494
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).