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BioLiP Library

PDB CCD ID: 6U5
Number of entries in BioLiP: 6
Chemical formula: C12 H17 N3 O2 S
InChI: InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)14-11-6-5-10-9-13-15(2)12(10)8-11/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKey: DDWBORAVXJGWPK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C
CACTVS 3.385CCCC[S](=O)(=O)Nc1ccc2cnn(C)c2c1
Name:~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide
ChEMBL: CHEMBL2098221
ZINC: ZINC000084687307
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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