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BioLiP

PDB CCD ID: UVG
Number of entries in BioLiP: 2
Chemical formula: C6 H9 N3 O
InChI: InChI=1S/C6H9N3O/c1-9(2)6(10)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)
InChIKey: XHOFWFVNVHZGMB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN(C)C(=O)c1c[nH]nc1
ACDLabs 12.01n1ncc(c1)C(N(C)C)=O
Name:N,N-dimethyl-1H-pyrazole-4-carboxamide
ZINC: ZINC000036165919
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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