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BioLiP

PDB CCD ID: 9AW
Number of entries in BioLiP: 2
Chemical formula: C19 H13 N3 O
InChI: InChI=1S/C19H13N3O/c23-19-15-5-1-2-7-17(15)21-18(22-19)14-10-8-13(9-11-14)16-6-3-4-12-20-16/h1-12H,(H,21,22,23)
InChIKey: YFPZUOWERSWGPK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4
CACTVS 3.385O=C1NC(=Nc2ccccc12)c3ccc(cc3)c4ccccn4
Name:2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-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)(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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