SEQ2FUN

BioLiP

PDB CCD ID: 94N
Number of entries in BioLiP: 3
Chemical formula: C6 H4 Br2 O
InChI: InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey: SSIZLKDLDKIHEV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1c(Br)cccc1Br
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)Br)O)Br
Name:2,6-bis(bromanyl)phenol
ChEMBL: CHEMBL111507
ZINC: ZINC000000334875
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).