SEQ2FUN

BioLiP

PDB CCD ID: TBP
Number of entries in BioLiP: 8
Chemical formula: C6 H3 Br3 O
InChI: InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1c(Br)cc(Br)cc1Br
OpenEye OEToolkits 1.5.0c1c(cc(c(c1Br)O)Br)Br
ACDLabs 10.04Brc1cc(Br)cc(Br)c1O
Name:2,4,6-TRIBROMOPHENOL
ChEMBL: CHEMBL220087
DrugBank: DB02417
ZINC: ZINC000000388234
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).