ZINC
12
User Information
Not Authenticated
—
sign in
Active cart: Temporary Cart (
0 items
)
Navigation
About
ZINC
BCIRC
Irwin Lab
Shoichet Lab
UCSF
Acknowledgements
Facts
Usage
Search
By:
Text
Structure
Properties
Catalogs
ZINC
Targets
Rings
Combination
Subsets
By:
Catalog
Property
Target
Ring
Cart
Help
Introduction
FAQ
Scripting/API
Quick Search
Problems
Filtering
History
Social
ZINC Fans
Decoy Club
DOCK Fans
Facebook
Twitter
Blog
Linkedin
Quick Search
ZINC ID or SMILES
Simple
Simple List
Systems
Systems List
Bemis-Murcko Scaffolds
B-M Scaffolds List
All
All List
Search
Identity
99%
90%
80%
70%
Substructure
5-(4-piperidyl)-4-isothiazolin-3-one
PubMed
—
Wikipedia
—
Google
SMILES:
Ring Information
Rings
Ring Systems
Atoms
Carbons
Nitrogens
Oxygens
Sulfurs
2
2
12
8
2
1
1
Subset Information
Substances
Natural
Purchasable
Annotated
BB
In Man
Last Updated
View
0
0
3
0
0
2012-04-04
Parents (
2 Total
)
4-isothiazolin-3-one
Piperidine
No Child Rings
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
Size
Browse
Download
(Annotations)
GBRA1_RAT
P62813
CHEMBL343
GABA Receptor Alpha-1 Subunit, Rat
3
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
GBRB3_RAT
P63079
CHEMBL316
GABA Receptor Beta-3 Subunit, Rat
3
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
GBRG2_RAT
P18508
CHEMBL297
GABA Receptor Gamma-2 Subunit, Rat
3
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
GBRA1_HUMAN
P14867
CHEMBL1962
GABA Receptor Alpha-1 Subunit, Human
2
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
GBRB3_HUMAN
P28472
CHEMBL1847
GABA Receptor Beta-3 Subunit, Human
2
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
GBRG2_HUMAN
P18507
CHEMBL1788
GABA Receptor Gamma-2 Subunit, Human
2
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
GBRA1_RAT
P62813
CHEMBL343
GABA Receptor Alpha-1 Subunit, Rat
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
GBRB3_RAT
P63079
CHEMBL316
GABA Receptor Beta-3 Subunit, Rat
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
GBRG2_RAT
P18508
CHEMBL297
GABA Receptor Gamma-2 Subunit, Rat
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z104301
Z104301
CHEMBL1907607
GABA-A Receptor; Anion Channel
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase