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BioLiP

PDB CCD ID: PBX
Number of entries in BioLiP: 1
Chemical formula: C6 H5 Br O3
InChI: InChI=1S/C6H5BrO3/c7-3-1-2-4(8)6(10)5(3)9/h1-2,8-10H
InChIKey: TYRFQQZIVRBJAK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Brc1ccc(O)c(O)c1O
OpenEye OEToolkits 1.7.6c1cc(c(c(c1O)O)O)Br
CACTVS 3.370Oc1ccc(Br)c(O)c1O
Name:4-bromobenzene-1,2,3-triol
ZINC: ZINC000033861528
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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