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BioLiP

PDB CCD ID: SZ5
Number of entries in BioLiP: 2
Chemical formula: C15 H12 N2 O
InChI: InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKey: UTEHUKGJDLVHIH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Name:2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE
ChEMBL: CHEMBL3289109
ZINC: ZINC000008714038
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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