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BioLiP

PDB CCD ID: A1ADG
Number of entries in BioLiP: 5
Chemical formula: C16 H14 N2 O
InChI: InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3
InChIKey: JEYCTXHKTXCGPB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccccc1N2C(=Nc3ccccc3C2=O)C
ACDLabs 12.01Cc1ccccc1N1C(C)=Nc2ccccc2C1=O
Name:2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
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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