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BioLiP

PDB CCD ID: XK6
Number of entries in BioLiP: 9
Chemical formula: C10 H6 F N O5 S
InChI: InChI=1S/C10H6FNO5S/c11-18(16,17)7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKey: HRNLMDOGOLJRKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C1=CNc2c(cccc2[S](F)(=O)=O)C1=O
ACDLabs 12.01FS(=O)(=O)c1cccc2c1NC=C(C2=O)C(=O)O
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)S(=O)(=O)F)NC=C(C2=O)C(=O)O
Name:8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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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