SEQ2FUN

BioLiP

PDB CCD ID: 0OK
Number of entries in BioLiP: 1
Chemical formula: C14 H10 N2 O
InChI: InChI=1S/C14H10N2O/c17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h1-10H
InChIKey: WAIHFZPSLVDBRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O=C1N(C=Nc2ccccc12)c3ccccc3
OpenEye OEToolkits 1.7.6c1ccc(cc1)N2C=Nc3ccccc3C2=O
ACDLabs 12.01O=C1c3ccccc3N=CN1c2ccccc2
Name:3-phenylquinazolin-4(3H)-one
ZINC: ZINC000000281739
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).