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BioLiP

PDB CCD ID: LJ4
Number of entries in BioLiP: 1
Chemical formula: C12 H8 Br2 O2
InChI: InChI=1S/C12H8Br2O2/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7,15H
InChIKey: CRSZEDOZGJPOHP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br
ACDLabs 10.04Brc2cc(Oc1ccccc1)cc(Br)c2O
CACTVS 3.341Oc1c(Br)cc(Oc2ccccc2)cc1Br
Name:2,6-dibromo-4-phenoxyphenol;
1,3-Dibromo-2-hydroxy-5-phenoxybenzene
ChEMBL: CHEMBL501942
DrugBank: DB08103
ZINC: ZINC000034512355
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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