SEQ2FUN

BioLiP

PDB CCD ID: A1H5B
Number of entries in BioLiP: 2
Chemical formula: C15 H8 F3 N3 O3
InChI: InChI=1S/C15H8F3N3O3/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21(23)24/h1-7H,(H,19,20,22)
InChIKey: DHHGYJRESXDLIW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)[N+](=O)[O-])N=C(NC2=O)c3ccc(cc3)C(F)(F)F
CACTVS 3.385[O-][N+](=O)c1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F
Name:8-nitro-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
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).