SEQ2FUN

BioLiP

PDB CCD ID: FGQ
Number of entries in BioLiP: 1
Chemical formula: C16 H12 F N O3 S
InChI: InChI=1S/C16H12FNO3S/c1-10-4-6-11(7-5-10)22(20,21)14-9-13(17)16(19)15-12(14)3-2-8-18-15/h2-9,19H,1H3
InChIKey: VRULDRRQTAPONR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)c2cc(F)c(O)c3ncccc23
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3)O)F
Name:7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol
ChEMBL: CHEMBL4177089
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).