SEQ2FUN

BioLiP

PDB CCD ID: Y8I
Number of entries in BioLiP: 8
Chemical formula: C6 H4 Br2 O
InChI: InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey: FAXWFCTVSHEODL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1Br)Br)O
CACTVS 3.385Oc1ccc(Br)cc1Br
Name:2,4-bis(bromanyl)phenol
ChEMBL: CHEMBL186858
ZINC: ZINC000000358476
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).