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
2-[(2-phenyl-1H-indol-3-yl)methylene]coumaran-3-one
PubMed
—
Wikipedia
—
Google
SMILES:
Ring Information
Rings
Ring Systems
Atoms
Carbons
Nitrogens
Oxygens
Sulfurs
5
3
26
23
1
2
0
Subset Information
Substances
Natural
Purchasable
Annotated
BB
In Man
Last Updated
View
0
0
1
0
0
2012-05-06
Parents (
3 Total
)
Benzene
Indole
2-methylenecoumaran-3-one
No Child Rings
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
Size
Browse
Download
(Annotations)
MTOR_HUMAN
P42345
CHEMBL2842
FK506 Binding Protein 12, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
MTOR_HUMAN
P42345
CHEMBL2842
FK506 Binding Protein 12, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
PK3CA_HUMAN
P42336
CHEMBL4005
PI3-kinase P110-alpha Subunit, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
PK3CA_HUMAN
P42336
CHEMBL4005
PI3-kinase P110-alpha Subunit, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
PK3CG_HUMAN
P48736
CHEMBL3267
PI3-kinase P110-gamma Subunit, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
PK3CG_HUMAN
P48736
CHEMBL3267
PI3-kinase P110-gamma Subunit, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z80054
Z80054
CHEMBL614058
Caco-2 (Colon Adenocarcinoma Cells)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z80211
Z80211
CHEMBL614721
LoVo (Colon Adenocarcinoma Cells)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z80390
Z80390
CHEMBL390
PC-3 (Prostate Carcinoma Cells)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase