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BioLiP

PDB CCD ID: 2ZI
Number of entries in BioLiP: 2
Chemical formula: C16 H11 F3 N2 O
InChI: InChI=1S/C16H11F3N2O/c1-9-3-2-4-12-13(9)20-14(21-15(12)22)10-5-7-11(8-6-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKey: GDPZGQDEZJRADO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F
OpenEye OEToolkits 1.7.6Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F
Name:8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
ChEMBL: CHEMBL346886
ZINC: ZINC000027563544
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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