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BioLiP

PDB CCD ID: 1R5
Number of entries in BioLiP: 1
Chemical formula: C15 H10 F N O2
InChI: InChI=1S/C15H10FNO2/c16-12-5-3-9(4-6-12)10-1-2-11-8-14(18)15(19)17-13(11)7-10/h1-8,18H,(H,17,19)
InChIKey: YFFXAOFQLPIPER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC1=Cc2ccc(cc2NC1=O)c3ccc(F)cc3
OpenEye OEToolkits 1.7.6c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F
ACDLabs 12.01Fc3ccc(c1ccc2c(c1)NC(=O)C(O)=C2)cc3
Name:7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one
ChEMBL: CHEMBL2386739
ZINC: ZINC000095920752
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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