SEQ2FUN

BioLiP

PDB CCD ID: IY5
Number of entries in BioLiP: 2
Chemical formula: C15 H9 F3 N2 O2
InChI: InChI=1S/C15H9F3N2O2/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/h1-7,21H,(H,19,20,22)
InChIKey: ZZCRCAHSCCNAPB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F
CACTVS 3.385Oc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F
Name:8-HYDROXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE
ChEMBL: CHEMBL151382
ZINC: ZINC000027563769
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).