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BioLiP

PDB CCD ID: HZ5
Number of entries in BioLiP: 1
Chemical formula: C7 H13 N3 O2 S
InChI: InChI=1S/C7H13N3O2S/c1-5-7(9-13(4,11)12)6(2)10(3)8-5/h9H,1-4H3
InChIKey: PADGNQOKIIWYMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1nc(C)c(N[S](C)(=O)=O)c1C
OpenEye OEToolkits 2.0.6Cc1c(c(n(n1)C)C)NS(=O)(=O)C
Name:~{N}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide
ZINC: ZINC000014225726
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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