SEQ2FUN

BioLiP

PDB CCD ID: A1AXG
Number of entries in BioLiP: 1
Chemical formula: C10 H8 F N O
InChI: InChI=1S/C10H8FNO/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,1H3,(H,12,13)
InChIKey: LLUXFHIYAWGJGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(O)c2cccc(F)c2n1
OpenEye OEToolkits 2.0.7Cc1cc(c2cccc(c2n1)F)O
ACDLabs 12.01Fc1cccc2c(O)cc(C)nc12
Name:8-fluoro-2-methylquinolin-4-ol
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).