SEQ2FUN

BioLiP

PDB CCD ID: PBR
Number of entries in BioLiP: 2
Chemical formula: C6 H Br5 O
InChI: InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey: SVHOVVJFOWGYJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1Br)Br)Br)Br)Br)O
CACTVS 3.341Oc1c(Br)c(Br)c(Br)c(Br)c1Br
ACDLabs 10.04Brc1c(O)c(Br)c(Br)c(Br)c1Br
Name:PENTABROMOPHENOL
ChEMBL: CHEMBL1235157
DrugBank: DB03167
ZINC: ZINC000001687157
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).