SEQ2FUN

BioLiP

PDB CCD ID: BEK
Number of entries in BioLiP: 1
Chemical formula: C8 H5 F4 N O2
InChI: InChI=1S/C8H5F4NO2/c1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12/h1H3,(H2,13,14)
InChIKey: JTXPTSGPUNTKSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1c(c(c(c(c1F)F)C(=O)N)F)F
ACDLabs 10.04Fc1c(F)c(c(F)c(F)c1OC)C(=O)N
CACTVS 3.341COc1c(F)c(F)c(C(N)=O)c(F)c1F
Name:2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE
DrugBank: DB01827
ZINC: ZINC000012501151
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).