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BioLiP

PDB CCD ID: A1IDD
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N7
InChI: InChI=1S/C16H15N7/c1-22-10-12(8-19-22)15-3-5-23-16(21-15)14(9-20-23)11-2-4-18-13(6-11)7-17/h2-6,8-10H,7,17H2,1H3
InChIKey: FVQBDHAVXPEVEZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1cc(cn1)c2ccn3c(n2)c(cn3)c4ccnc(c4)CN
CACTVS 3.385Cn1cc(cn1)c2ccn3ncc(c4ccnc(CN)c4)c3n2
Name:[4-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-yl]methanamine
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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