SEQ2FUN

BioLiP

PDB CCD ID: XV1
Number of entries in BioLiP: 5
Chemical formula: C16 H12 F N O
InChI: InChI=1S/C16H12FNO/c17-14-6-2-1-4-12(14)10-13-8-7-11-5-3-9-18-15(11)16(13)19/h1-9,19H,10H2
InChIKey: HAPYRIFBEJEYED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02Fc1ccccc1Cc2c(O)c3ncccc3cc2
OpenEye OEToolkits 1.7.0c1ccc(c(c1)Cc2ccc3cccnc3c2O)F
CACTVS 3.352Oc1c(Cc2ccccc2F)ccc3cccnc13
Name:7-(2-fluorobenzyl)quinolin-8-ol
ZINC: ZINC000044712609
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).