SEQ2FUN

BioLiP

PDB CCD ID: KYR
Number of entries in BioLiP: 1
Chemical formula: C15 H12 N2 O
InChI: InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKey: LPCDEMFDWKLSBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)C2=NC(=O)Nc3c2cccc3
CACTVS 3.385Cc1ccc(cc1)C2=NC(=O)Nc3ccccc23
Name:4-(4-methylphenyl)-1~{H}-quinazolin-2-one
ChEMBL: CHEMBL1409169
ZINC: ZINC000011617355
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).