SEQ2FUN

BioLiP

PDB CCD ID: BBF
Number of entries in BioLiP: 1
Chemical formula: C6 Br F5
InChI: InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey: XEKTVXADUPBFOA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Fc1c(F)c(F)c(Br)c(F)c1F
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1F)F)Br)F)F)F
ACDLabs 10.04Fc1c(F)c(F)c(F)c(Br)c1F
Name:1-bromo-2,3,4,5,6-pentafluorobenzene
ChEMBL: CHEMBL1231233
ZINC: ZINC000001583744
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).