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BioLiP

PDB CCD ID: SVI
Number of entries in BioLiP: 1
Chemical formula: C5 H4 N4
InChI: InChI=1S/C5H4N4/c1-2-9-4-7-8-5(9)3-6-1/h1-4H
InChIKey: NVSPJDGXKBDYIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cncc2nncn12
CACTVS 3.385
OpenEye OEToolkits 2.0.7		c1cn2cnnc2cn1
Name:(4S)-[1,2,4]triazolo[4,3-a]pyrazine
ZINC: ZINC000001695126
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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