SEQ2FUN

BioLiP

PDB CCD ID: FL0
Number of entries in BioLiP: 16
Chemical formula: C8 H7 Br O
InChI: InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey: LIGACIXOYTUXAW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)CBr
CACTVS 3.385BrCC(=O)c1ccccc1
Name:2-bromanyl-1-phenyl-ethanone
ChEMBL: CHEMBL102953
ZINC: ZINC000000331704
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).