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BioLiP

PDB CCD ID: 63M
Number of entries in BioLiP: 1
Chemical formula: C15 H19 N7 O3 S
InChI: InChI=1S/C15H19N7O3S/c1-15(2,3)19-14(23)10-9-17-22-8-6-11(18-13(10)22)20-26(24,25)12-5-7-16-21(12)4/h5-9H,1-4H3,(H,18,20)(H,19,23)
InChIKey: TXLKGLIVYSFVAR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(c3ccnn3C)=O
OpenEye OEToolkits 2.0.4CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(=O)c3ccnn3C
CACTVS 3.385Cn1nccc1[S](=O)(=O)Nc2ccn3ncc(C(=O)NC(C)(C)C)c3n2
Name:N-tert-butyl-5-{[(1-methyl-1H-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
ZINC: ZINC000113756470

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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