SEQ2FUN

BioLiP

PDB CCD ID: A1CDF
Number of entries in BioLiP: 1
Chemical formula: C17 H19 F N2 O6 S
InChI: InChI=1S/C17H19FN2O6S/c1-2-25-13-6-7-16(18)15(11-13)17(22)19-20-27(23,24)14-5-3-4-12(10-14)26-9-8-21/h3-7,10-11,20-21H,2,8-9H2,1H3,(H,19,22)
InChIKey: QFUHCIYHPLDGNV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CCOc1ccc(c(c1)C(=O)NNS(=O)(=O)c2cccc(c2)OCCO)F
CACTVS 3.385CCOc1ccc(F)c(c1)C(=O)NN[S](=O)(=O)c2cccc(OCCO)c2
ACDLabs 14.52O=S(=O)(NNC(=O)c1cc(OCC)ccc1F)c1cc(OCCO)ccc1
Name:5-ethoxy-2-fluoro-N'-[3-(2-hydroxyethoxy)benzene-1-sulfonyl]benzohydrazide
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).