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BioLiP

PDB CCD ID: WPS
Number of entries in BioLiP: 2
Chemical formula: C5 H6 N4
InChI: InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)
InChIKey: CRRHJAMDQMQGKG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1n[nH]c(N)c1C#N
OpenEye OEToolkits 2.0.7Cc1c(c([nH]n1)N)C#N
ACDLabs 12.01n1nc(c(C#N)c1N)C
Name:5-amino-3-methyl-1H-pyrazole-4-carbonitrile
ZINC: ZINC000004353708
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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