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
DiketoBLAHdiquinone
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SMILES:
Ring Information
Rings
Ring Systems
Atoms
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6
1
30
21
1
7
1
Subset Information
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1
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2012-03-30
Parents (
6 Total
)
Furan
Benzene
Cyclohex-2-en-1-one
Cyclohexa-2,5-dien-1-one
3,6-dihydro-2H-1,4-thiazine 1,1-…
5-iminocyclohex-2-ene-1,4-quinone
No Child Rings
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
Size
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(Annotations)
Z50136
Z50136
CHEMBL612608
Plasmodium Falciparum (isolate FcB1 / Columbia)
1
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SDF
Mol2
Flexibase
