SEQ2FUN

BioLiP

PDB CCD ID: LJ3
Number of entries in BioLiP: 2
Chemical formula: C12 H8 Br2 O
InChI: InChI=1S/C12H8Br2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,15H
InChIKey: SKQRVOXIIAXXEM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2cc(c(c(c2)Br)O)Br
ACDLabs 10.04Brc1cc(cc(Br)c1O)c2ccccc2
CACTVS 3.341Oc1c(Br)cc(cc1Br)c2ccccc2
Name:3,5-dibromobiphenyl-4-ol;
3,5-Dibromo-4-hydroxybiphenyl
ChEMBL: CHEMBL493062
DrugBank: DB08102
ZINC: ZINC000000405065
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).