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
Oxygens
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5
1
23
18
2
3
0
Subset Information
Substances
Natural
Purchasable
Annotated
BB
In Man
Last Updated
View
2
6
18
0
1
2012-03-07
Parents (
5 Total
)
2H-pyrrole
Pyridine
Benzene
2,5-dihydropyran-6-one
2-pyridone
Children (
3 Total
)
3-(1,2,4-triazol-1-yl)propoxyBLA…
3-imidazol-1-ylpropoxyBLAHquinone
3-purin-9-ylpropoxyBLAHquinone
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
Size
Browse
Download
(Annotations)
Z81024
Z81024
CHEMBL396
NCI-H460 (Non-small Cell Lung Carcinoma)
9
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z80224
Z80224
CHEMBL387
MCF7 (Breast Carcinoma Cells)
4
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
TOP1_HUMAN
P11387
CHEMBL1781
DNA Topoisomerase I, Human
2
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
TOP1_HUMAN
P11387
CHEMBL1781
DNA Topoisomerase I, Human
2
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z80193
Z80193
CHEMBL386
L1210 (Lymphocytic Leukemia Cells)
2
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z103203
Z103203
CHEMBL1075388
A375
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z80125
Z80125
CHEMBL613508
DU-145 (Prostate Carcinoma)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z80145
Z80145
CHEMBL614045
H69
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z80166
Z80166
CHEMBL384
HT-29 (Colon Adenocarcinoma Cells)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z80390
Z80390
CHEMBL390
PC-3 (Prostate Carcinoma Cells)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z80482
Z80482
CHEMBL614917
SK-MEL-2 (Melanoma Cells)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z81115
Z81115
CHEMBL398
KB (Squamous Cell Carcinoma)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z81170
Z81170
CHEMBL612518
LNCaP (Prostate Carcinoma)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
Z81248
Z81248
CHEMBL614021
Malme-3M (Melanoma Cells)
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase