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BioLiP Library

PDB CCD ID: 89H
Number of entries in BioLiP: 1
Chemical formula: C12 H10 N2 O3
InChI: InChI=1S/C12H10N2O3/c15-11-9-4-3-8(17-6-7-1-2-7)5-10(9)12(16)14-13-11/h3-5,7H,1-2,6H2
InChIKey: OIWRUONPGXPTOV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1OCC3CC3)C(=O)N=NC2=O
CACTVS 3.385O=C1N=NC(=O)c2cc(OCC3CC3)ccc12
Name:6-(cyclopropylmethoxy)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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