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BioLiP

PDB CCD ID: YUG
Number of entries in BioLiP: 2
Chemical formula: C12 H6 Br4 O2
InChI: InChI=1S/C12H6Br4O2/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)12(17)11(10)16/h1-5,17H
InChIKey: JKSJZAPNQVINPS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1Br)Br)Oc2ccc(c(c2Br)O)Br
ACDLabs 12.01Brc2ccc(Oc1ccc(Br)cc1Br)c(Br)c2O
CACTVS 3.370Oc1c(Br)ccc(Oc2ccc(Br)cc2Br)c1Br
Name:2,6-dibromo-3-(2,4-dibromophenoxy)phenol
ZINC: ZINC000098209653
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).
  • 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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