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BioLiP Library

PDB CCD ID: 9AN
Number of entries in BioLiP: 2
Chemical formula: C14 H10 N2 O2
InChI: InChI=1S/C14H10N2O2/c17-10-5-3-4-9(8-10)13-15-12-7-2-1-6-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
InChIKey: XMXQFRPDUIBGED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cccc(c1)C2=Nc3ccccc3C(=O)N2
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O
Name:2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one
ChEMBL: CHEMBL3289110
ZINC: ZINC000048603426
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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