SEQ2FUN

BioLiP

PDB CCD ID: Y87
Number of entries in BioLiP: 1
Chemical formula: C6 H4 Br F
InChI: InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey: AITNMTXHTIIIBB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1F)Br
CACTVS 3.385Fc1ccc(Br)cc1
Name:1-bromanyl-4-fluoranyl-benzene
ChEMBL: CHEMBL1876826
ZINC: ZINC000000402617
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).