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BioLiP Library

PDB CCD ID: 8B5
Number of entries in BioLiP: 1
Chemical formula: C15 H9 Br N2 O3
InChI: InChI=1S/C15H9BrN2O3/c16-10-3-1-2-9(6-10)8-21-11-4-5-12-13(7-11)15(20)18-17-14(12)19/h1-7H,8H2
InChIKey: IBBBSWKNUHVKGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Br)COc2ccc3c(c2)C(=O)N=NC3=O
CACTVS 3.385Brc1cccc(COc2ccc3C(=O)N=NC(=O)c3c2)c1
Name:6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione
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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