SEQ2FUN

BioLiP

PDB CCD ID: ZRE
Number of entries in BioLiP: 4
Chemical formula: C10 H8 F N O3
InChI: InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15)
InChIKey: SAJMBBKTNYDWGD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc2CCC(=O)Nc2cc1F
ACDLabs 12.01O=C(O)c1cc2CCC(=O)Nc2cc1F
OpenEye OEToolkits 2.0.7c1c2c(cc(c1C(=O)O)F)NC(=O)CC2
Name:7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

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).