BioLiP

PDB

BioLiP

PDB CCD ID:

M8J

Number of entries in BioLiP:

Chemical formula:

C15 H18 N4 O5 S

InChI:

InChI=1S/C15H18N4O5S/c16-25(23,24)11-5-3-10(4-6-11)17-12(20)9-19-13(21)15(18-14(19)22)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,17,20)(H,18,22)(H2,16,23,24)

InChIKey:

PWGCLXASZRXSOJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
ACDLabs 12.01	c1cc(ccc1NC(CN3C(C2(CCCC2)NC3=O)=O)=O)S(N)(=O)=O

Name:

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide

ChEMBL:

CHEMBL4435918

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).