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BioLiP

PDB CCD ID: UW6
Number of entries in BioLiP: 1
Chemical formula: C5 H6 N2 O
InChI: InChI=1S/C5H6N2O/c1-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8)
InChIKey: MMDFKVYPOQFQHP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=CC(=O)NN=C1
ACDLabs 12.01O=C1C=C(C)C=NN1
Name:5-methylpyridazin-3(2H)-one
ZINC: ZINC000017108644
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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