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BioLiP Library

PDB CCD ID: 8A8
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N2 O3
InChI: InChI=1S/C15H16N2O3/c18-14-12-7-6-11(8-13(12)15(19)17-16-14)20-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKey: FJVMZSOVKUYXNA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1N=NC(=O)c2cc(OCC3CCCCC3)ccc12
OpenEye OEToolkits 2.0.7c1cc2c(cc1OCC3CCCCC3)C(=O)N=NC2=O
Name:6-(cyclohexylmethoxy)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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