ZINC
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ZINC ID or SMILES
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Identity
99%
90%
80%
70%
Substructure
BLAHquinone
PubMed
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SMILES:
Ring Information
Rings
Ring Systems
Atoms
Carbons
Nitrogens
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4
1
19
13
4
2
0
Subset Information
Substances
Natural
Purchasable
Annotated
BB
In Man
Last Updated
View
0
76
6
0
0
2012-03-17
Parents (
3 Total
)
Pyrrole
1,2-dihydropyrazine
Benzene
Children (
6 Total
)
2-furylBLAHquinone
PhenylBLAHquinone
Phenyl(2-thienyl)BLAHquinone
DiphenylBLAHquinone
1,3-benzodioxol-5-yl(phenyl)BLAH…
1H-benzimidazol-2-yl(phenyl)BLAH…
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
Size
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(Annotations)
CFTR_HUMAN
P13569
CHEMBL4051
Cystic Fibrosis Transmembrane Conductance Regulator, Human
6
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase