[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-[bis[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryloxymethyl]-6-sulfamoyloxan-3-yl] acetate

InChIKey	`WTCLEDMBIMLGKI-BDHVOXNPSA-N`
Compound Name	[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-[bis[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryloxymethyl]-6-sulfamoyloxan-3-yl] acetate
Canonical SMILES	`CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](S(N)(=O)=O)O[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@H]1OC(C)=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	6.55
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P00918	CA2	Homo sapiens	Human	PF00194	7.1	Ki	ChEMBL;BindingDB
Q16790	CA9	Homo sapiens	Human	PF00194	6.8	Ki	ChEMBL;BindingDB
O43570	CA12	Homo sapiens	Human	PF00194	6.2	Ki	ChEMBL;BindingDB
P00915	CA1	Homo sapiens	Human	PF00194	6.1	Ki	ChEMBL;BindingDB