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BioLiP

PDB CCD ID: V4C
Number of entries in BioLiP: 1
Chemical formula: C11 H19 N3 O2 S
InChI: InChI=1S/C11H19N3O2S/c1-9(2)7-14(10-4-5-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3
InChIKey: SHLCNMOAEZIUIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)CN(C1CC1)[S](=O)(=O)c2cnn(C)c2
OpenEye OEToolkits 2.0.7CC(C)CN(C1CC1)S(=O)(=O)c2cnn(c2)C
ACDLabs 12.01O=S(=O)(c1cn(C)nc1)N(CC(C)C)C1CC1
Name:N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
ZINC: ZINC000058931664
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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