BioLiP

PDB

BioLiP

PDB CCD ID:

O6Z

Number of entries in BioLiP:

Chemical formula:

C11 H15 N3 O2 S

InChI:

InChI=1S/C11H15N3O2S/c1-2-3-6-17(15,16)14-10-4-5-11-9(7-10)8-12-13-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,12,13)

InChIKey:

OPXDHLZGQKADDC-UHFFFAOYSA-N

SMILES:

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

Name:

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

ChEMBL:

CHEMBL5203400

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).