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BioLiP

PDB CCD ID: N8U
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N3 O2 S
InChI: InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-3-4-9-7(5-8)6-10-11-9/h3-6,12H,2H2,1H3,(H,10,11)
InChIKey: RCLHSLDLIZMGRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1
OpenEye OEToolkits 2.0.7CCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2
Name:~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide
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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