UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3947513
3947513
3947514
3947514
3947515
3947515
3947516
3947516
3978464
3978464

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Popular Name: Rotenone Rotenone

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DUOX2-2-E Thyroid Oxidase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 5 0.40 Binding ≤ 10μM
NDUA4-2-E NADH-ubiquinone Oxidoreductase MLRQ Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 29 0.36 Binding ≤ 10μM
NDUA6-2-E NADH-ubiquinone Oxidoreductase B14 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 29 0.36 Binding ≤ 10μM
NDUA8-2-E NADH-ubiquinone Oxidoreductase 19 KDa Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 29 0.36 Binding ≤ 10μM
NDUAA-2-E NADH-ubiquinone Oxidoreductase 42 KDa Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 29 0.36 Binding ≤ 10μM
NDUAB-2-E NADH-ubiquinone Oxidoreductase Subunit B14.7 (cluster #2 Of 2), Eukaryotic Eukaryotes 29 0.36 Binding ≤ 10μM
NDUB5-2-E NADH-ubiquinone Oxidoreductase SGDH Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 29 0.36 Binding ≤ 10μM
NDUB6-2-E NADH-ubiquinone Oxidoreductase B17 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 29 0.36 Binding ≤ 10μM
NDUB7-2-E NADH-ubiquinone Oxidoreductase B18 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 29 0.36 Binding ≤ 10μM
NDUS2-2-E NADH-ubiquinone Oxidoreductase 49 KDa Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 29 0.36 Binding ≤ 10μM
NDUS8-2-E NADH-ubiquinone Oxidoreductase 23 KDa Subunit, (cluster #2 Of 2), Eukaryotic Eukaryotes 29 0.36 Binding ≤ 10μM
NU1M-1-E NADH-ubiquinone Oxidoreductase Chain 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.42 Binding ≤ 10μM
NU2M-1-E NADH-ubiquinone Oxidoreductase Chain 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.42 Binding ≤ 10μM
NU3M-1-E NADH-ubiquinone Oxidoreductase Chain 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.42 Binding ≤ 10μM
NU4M-1-E NADH-ubiquinone Oxidoreductase Chain 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.41 Binding ≤ 10μM
NU5M-1-E NADH-ubiquinone Oxidoreductase Chain 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.42 Binding ≤ 10μM
NU6M-1-E NADH-ubiquinone Oxidoreductase Chain 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.42 Binding ≤ 10μM
Z101775-1-O Drosophila (cluster #1 Of 1), Other Other 10000 0.24 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 10000 0.24 Functional ≤ 10μM
Z50531-3-O Caenorhabditis Elegans (cluster #3 Of 3), Other Other 2000 0.28 Functional ≤ 10μM
Z50531-1-O Caenorhabditis Elegans (cluster #1 Of 1), Other Other 2000 0.28 ADME/T ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.59 8.74 -11.43 0 6 0 63 394.423 3 ↓

Parameters Provided:

target.name = NDUS2-2-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'NDUS2-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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