SEQ2FUN

BioLiP

PDB CCD ID: ECZ
Number of entries in BioLiP: 2
Chemical formula: C16 H11 F3 N2 O2
InChI: InChI=1S/C16H11F3N2O2/c1-23-12-4-2-3-11-13(12)20-14(21-15(11)22)9-5-7-10(8-6-9)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKey: PFWLEODBNCMHGH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F
OpenEye OEToolkits 1.7.6COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F
Name:8-METHOXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE
ChEMBL: CHEMBL123798
ZINC: ZINC000013782469
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).