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BioLiP

PDB CCD ID: A1IDE
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N6
InChI: InChI=1S/C15H12N6/c1-20-10-12(8-17-20)14-4-7-21-15(19-14)13(9-18-21)11-2-5-16-6-3-11/h2-10H,1H3/p+1
InChIKey: YWNBRHOODOCMIR-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1cc(cn1)c2cc[n+]3c(n2)c(c[nH]3)c4ccncc4
CACTVS 3.385Cn1cc(cn1)c2cc[n+]3[nH]cc(c4ccncc4)c3n2
Name:5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-1~{H}-pyrazolo[1,5-a]pyrimidine
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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