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BioLiP

PDB CCD ID: 272
Number of entries in BioLiP: 4
Chemical formula: C13 H9 N O4
InChI: InChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-10-4-2-8(16)6-12(10)18-14-13/h1-6,15-17H
InChIKey: NBTXJDAHLMMIGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)onc2c3ccc(cc3O)O
ACDLabs 10.04n2oc1cc(O)ccc1c2c3ccc(O)cc3O
CACTVS 3.341Oc1ccc(c(O)c1)c2noc3cc(O)ccc23
Name:4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL
ChEMBL: CHEMBL360410
DrugBank: DB06937
ZINC: ZINC000013583538
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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