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BioLiP Library

PDB CCD ID: A1ANA
Number of entries in BioLiP: 1
Chemical formula: C9 H14 N4 O
InChI: InChI=1S/C9H14N4O/c1-13-5-7(10)8(12-13)9(14)11-6-3-2-4-6/h5-6H,2-4,10H2,1H3,(H,11,14)
InChIKey: NILOPFIVQCAHIP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc1cn(C)nc1C(=O)NC1CCC1
OpenEye OEToolkits 2.0.7Cn1cc(c(n1)C(=O)NC2CCC2)N
CACTVS 3.385Cn1cc(N)c(n1)C(=O)NC2CCC2
Name:4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
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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