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BioLiP

PDB CCD ID: Q4H
Number of entries in BioLiP: 1
Chemical formula: C5 H4 N4
InChI: InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)
InChIKey: JAIYUIOGVNRXEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(c(ncn1)N)C#N
CACTVS 3.385Nc1ncncc1C#N
Name:4-azanylpyrimidine-5-carbonitrile
ZINC: ZINC000000165356
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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