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BioLiP Library

PDB CCD ID: BJ4
Number of entries in BioLiP: 2
Chemical formula: C16 H14 N2 O2
InChI: InChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)15-17-14-12(16(19)18-15)4-3-5-13(14)20-2/h3-9H,1-2H3,(H,17,18,19)
InChIKey: JKCKQJATUNERKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2
CACTVS 3.385COc1cccc2C(=O)NC(=Nc12)c3ccc(C)cc3
Name:8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
ChEMBL: CHEMBL3827329
ZINC: ZINC000039343284
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)(download the PDF file).
  • 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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