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BioLiP

PDB CCD ID: A1BB7
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N3
InChI: InChI=1S/C9H7N3/c1-4-10-5-2-8(1)9-3-6-11-12-7-9/h1-7H
InChIKey: QZBDEUCWKDAUML-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnccc1c2ccnnc2
CACTVS 3.385c1cc(ccn1)c2ccnnc2
ACDLabs 14.52c1cc(ccn1)c1cnncc1
Name:4-(pyridin-4-yl)pyridazine
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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