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BioLiP

PDB CCD ID: 6Q9
Number of entries in BioLiP: 2
Chemical formula: C12 H13 N5 O2 S
InChI: InChI=1S/C12H13N5O2S/c1-7-12(8(2)15-14-7)20(18,19)17-10-4-3-9-6-13-16-11(9)5-10/h3-6,17H,1-2H3,(H,13,16)(H,14,15)
InChIKey: ZPEANOFCXGJMGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1[nH]nc(C)c1[S](=O)(=O)Nc2ccc3c[nH]nc3c2
OpenEye OEToolkits 2.0.5Cc1c(c(n[nH]1)C)S(=O)(=O)Nc2ccc3c[nH]nc3c2
Name:~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide
ChEMBL: CHEMBL2098015
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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