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
1-(1H-indol-2-yl)-2-(ketoBLAHyl)ethane-1,2-dione
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SMILES:
Ring Information
Rings
Ring Systems
Atoms
Carbons
Nitrogens
Oxygens
Sulfurs
6
2
31
25
3
3
0
Subset Information
Substances
Natural
Purchasable
Annotated
BB
In Man
Last Updated
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0
0
2
0
0
2012-04-04
Parents (
2 Total
)
Indole
BLAHone
No Child Rings
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
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(Annotations)
FKB1A_HUMAN
P62942
CHEMBL1902
FK506-binding Protein 1A, Human
2
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SDF
Mol2
Flexibase