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BioLiP Library

PDB CCD ID: WQG
Number of entries in BioLiP: 3
Chemical formula: C8 H6 N2 O
InChI: InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
InChIKey: QMNUDYFKZYBWQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)NC=N2
ACDLabs 12.01N2C=Nc1c(cccc1)C2=O
CACTVS 3.385O=C1NC=Nc2ccccc12
Name:quinazolin-4(3H)-one
ChEMBL: CHEMBL266540
ZINC: ZINC000017970819
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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