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-(1,3-benzodioxol-5-yl)-2-keto-N-(4-piperazinophenyl)-1H-pyridine-3-carboxamide
PubMed
—
Wikipedia
—
Google
SMILES:
Ring Information
Rings
Ring Systems
Atoms
Carbons
Nitrogens
Oxygens
Sulfurs
5
4
31
23
4
4
0
Subset Information
Substances
Natural
Purchasable
Annotated
BB
In Man
Last Updated
View
0
0
1
0
0
2012-04-04
Parents (
4 Total
)
Piperazine
Benzene
2-pyridone
1,3-benzodioxole
No Child Rings
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
Size
Browse
Download
(Annotations)
ABL1_HUMAN
P00519
CHEMBL1862
Tyrosine-protein Kinase ABL, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
ALK_HUMAN
Q9UM73
CHEMBL4247
ALK Tyrosine Kinase Receptor, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
ALK_HUMAN
Q9UM73
CHEMBL4247
ALK Tyrosine Kinase Receptor, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
ALK_HUMAN
Q9UM73
CHEMBL4247
ALK Tyrosine Kinase Receptor, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
BCR_HUMAN
P11274
CHEMBL5146
Breakpoint Cluster Region Protein, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
FLT3_HUMAN
P36888
CHEMBL1974
Tyrosine-protein Kinase Receptor FLT3, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
INSR_HUMAN
P06213
CHEMBL1981
Insulin Receptor, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
NPM_HUMAN
P06748
CHEMBL5178
Nucleophosmin, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z80036
Z80036
CHEMBL614524
BaF3 (IL-3-dependent Pro-B-cells)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z81072
Z81072
CHEMBL397
Jurkat (Acute Leukemic T-cells)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase