UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39295391
39295391

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Popular Name: DNC011298 DNC011298

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NQO1-2-E Quinone Reductase 1) (cluster #2 Of 3), Eukaryotic Eukaryotes 1100 0.31 Binding ≤ 10μM
NQO2-2-E Quinone Reductase 2 (cluster #2 Of 4), Eukaryotic Eukaryotes 6000 0.27 Binding ≤ 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) 8.28 1.14 -10.3 0 0 0 0 360.481 1 ↓

Analogs

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Popular Name: 4-hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(2-thienyl)methyl]-chromen-2-one 4-hydroxy-3-[(4-hydroxy-2-oxo-ch…

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Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NQO1-2-E Quinone Reductase 1) (cluster #2 Of 3), Eukaryotic Eukaryotes 550 0.29 Binding ≤ 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) 4.42 10.23 -140.48 0 6 -2 107 416.41 3 ↓
Mid Mid (pH 6-8) 4.42 10.3 -60.46 1 6 -1 104 417.418 3 ↓
Mid Mid (pH 6-8) 4.42 8.56 -26.24 2 6 0 101 418.426 3 ↓

Parameters Provided:

target.name = NQO1-2-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 'NQO1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=NQO1-2-E&target.type=B10&filter.purchasability=purchasable

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