ZINC
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ZINC ID or SMILES
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Bemis-Murcko Scaffolds
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Identity
99%
90%
80%
70%
Substructure
N-(2-cyclohexylethyl)benzamide
PubMed
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SMILES:
Ring Information
Rings
Ring Systems
Atoms
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Nitrogens
Oxygens
Sulfurs
2
2
17
15
1
1
0
Subset Information
Substances
Natural
Purchasable
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BB
In Man
Last Updated
View
0
460
1
8
0
2012-03-19
Parents (
2 Total
)
Benzene
Cyclohexane
No Child Rings
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
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Download
(Annotations)
CATB_HUMAN
P07858
CHEMBL4072
Cathepsin B, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
CATB_HUMAN
P07858
CHEMBL4072
Cathepsin B, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
CATK_HUMAN
P43235
CHEMBL268
Cathepsin K, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
CATL1_HUMAN
P07711
CHEMBL3837
Cathepsin L, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
CATL1_HUMAN
P07711
CHEMBL3837
Cathepsin L, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
CATS_HUMAN
P25774
CHEMBL2954
Cathepsin S, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
CATS_HUMAN
P25774
CHEMBL2954
Cathepsin S, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
CATS_MOUSE
O70370
CHEMBL4098
Cathepsin S, Mouse
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
CATS_MOUSE
O70370
CHEMBL4098
Cathepsin S, Mouse
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z100727
Z100727
CHEMBL613850
A20 (Sarcoma B-lymphocytes)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase