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BioLiP

PDB CCD ID: BXZ
Number of entries in BioLiP: 1
Chemical formula: C13 H8 Br N O4
InChI: InChI=1S/C13H8BrNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H
InChIKey: LZACPHWPRDKUPK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc2c(onc2c3cc(Br)c(O)cc3O)c1
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br
ACDLabs 10.04Brc3cc(c2noc1cc(O)ccc12)c(O)cc3O
Name:4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
ChEMBL: CHEMBL361078
DrugBank: DB07502
ZINC: ZINC000013583554
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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