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BioLiP

PDB CCD ID: K3A
Number of entries in BioLiP: 4
Chemical formula: C6 H9 N3 O
InChI: InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
InChIKey: LUFRABHJXNJTNZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cc(C)[nH]n1
ACDLabs 12.01n1nc(NC(C)=O)cc1C
OpenEye OEToolkits 2.0.6Cc1cc(n[nH]1)NC(=O)C
Name:N-(5-methyl-1H-pyrazol-3-yl)acetamide
ZINC: ZINC000012539065
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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