SEQ2FUN

BioLiP

PDB CCD ID: 6DP
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N3 O2 S
InChI: InChI=1S/C8H9N3O2S/c1-14(12,13)11-8-4-2-3-7-6(8)5-9-10-7/h2-5,11H,1H3,(H,9,10)
InChIKey: CAMWAWBWBXRPRP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CS(=O)(=O)Nc1cccc2c1cn[nH]2
CACTVS 3.385C[S](=O)(=O)Nc1cccc2[nH]ncc12
Name:~{N}-(1~{H}-indazol-4-yl)methanesulfonamide
ChEMBL: CHEMBL1703303
ZINC: ZINC000001395175
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).