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BioLiP

PDB CCD ID: 7JG
Number of entries in BioLiP: 1
Chemical formula: C20 H12 F2 N2 O2
InChI: InChI=1S/C20H12F2N2O2/c21-13-5-1-11(2-6-13)15-9-16(25)19-18(20(26)24-10-23-19)17(15)12-3-7-14(22)8-4-12/h1-10,25H,(H,23,24,26)
InChIKey: XHKWMBTVWDSDBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1c2cc(c3c(c2c4ccc(cc4)F)C(=O)NC=N3)O)F
CACTVS 3.385Oc1cc(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14
Name:5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one;
5,6-bis(4-fluorophenyl)-8-hydroxy-3H-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).
  • 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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