BioLiP

PDB

BioLiP

PDB CCD ID:

N8U

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1
OpenEye OEToolkits 2.0.7	CCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2

Name:

~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide

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).