BioLiP

PDB

BioLiP

PDB CCD ID:

O60

Number of entries in BioLiP:

Chemical formula:

C10 H24 N2 O6 S2

InChI:

InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)

InChIKey:

XPDWKENHTJHZSC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	N[S](=O)(=O)OCCCCCCCCCCO[S](N)(=O)=O
ACDLabs 11.02	O=S(=O)(OCCCCCCCCCCOS(=O)(=O)N)N
OpenEye OEToolkits 1.7.0	C(CCCCCOS(=O)(=O)N)CCCCOS(=O)(=O)N

Name:

decane-1,10-diyl disulfamate;
1,10-decanediol disulfamate

ChEMBL:

CHEMBL171476

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).