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BioLiP

PDB CCD ID: 7JQ
Number of entries in BioLiP: 1
Chemical formula: C14 H9 F N2 O
InChI: InChI=1S/C14H9FN2O/c15-12-3-1-9(2-4-12)10-5-11-7-16-8-17-14(11)13(18)6-10/h1-8,18H
InChIKey: QTUPQWZWXNDRNS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc(cc2cncnc12)c3ccc(F)cc3
OpenEye OEToolkits 2.0.6c1cc(ccc1c2cc3cncnc3c(c2)O)F
Name:6-(4-fluorophenyl)quinazolin-8-ol
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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