BioLiP

PDB

BioLiP

PDB CCD ID:

06R

Number of entries in BioLiP:

Chemical formula:

C15 H9 F3 N2 O

InChI:

InChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h1-8H,(H,19,20,21)

InChIKey:

LSKQRMBPLLMJRR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F
CACTVS 3.385	FC(F)(F)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2

Name:

2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

ChEMBL:

CHEMBL2419892

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).