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BioLiP

PDB CCD ID: F40
Number of entries in BioLiP: 2
Chemical formula: C14 H10 N2 O
InChI: InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
InChIKey: VDULOAUXSMYUMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2c3ccccc3N=C(c1ccccc1)N2
CACTVS 3.385O=C1NC(=Nc2ccccc12)c3ccccc3
OpenEye OEToolkits 1.9.2c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Name:2-phenyl-3H-quinazolin-4-one
ChEMBL: CHEMBL127066
ZINC: ZINC000017917305
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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