UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: PD 146176 PD 146176

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX15-2-E Arachidonate 15-lipoxygenase (cluster #2 Of 5), Eukaryotic Eukaryotes 3810 0.45 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) 3.98 8.83 -6.57 1 1 0 16 237.327 0 ↓

Analogs

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Popular Name: N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-methyl-benzenesulfonamide N-[2-[2-(4-methoxyphenyl)-1H-ind…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX15-2-E Arachidonate 15-lipoxygenase (cluster #2 Of 5), Eukaryotic Eukaryotes 780 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) 5.14 8.68 -12.93 2 5 0 71 420.534 7 ↓

Analogs

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Popular Name: DANSYLTRYPTAMINE DANSYLTRYPTAMINE

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX15-2-E Arachidonate 15-lipoxygenase (cluster #2 Of 5), Eukaryotic Eukaryotes 3730 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) 4.17 8.94 -13.59 2 5 0 65 393.512 6 ↓

Analogs

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Popular Name: Chloroxine Chloroxine

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And 42 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX12-2-E Arachidonate 12-lipoxygenase (cluster #2 Of 4), Eukaryotic Eukaryotes 1900 0.62 Binding ≤ 10μM
LOX15-2-E Arachidonate 15-lipoxygenase (cluster #2 Of 5), Eukaryotic Eukaryotes 2400 0.61 Binding ≤ 10μM
LOX5-1-E Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic Eukaryotes 3600 0.59 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) 3.21 3.07 -6.02 1 2 0 33 214.051 0 ↓
Mid Mid (pH 6-8) 3.21 3.83 -41.97 0 2 -1 36 213.043 0 ↓

Analogs

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Popular Name: [amino-(m-tolyl)methylene]amino [amino-(m-tolyl)methylene]amino

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And 1 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX15-2-E Arachidonate 15-lipoxygenase (cluster #2 Of 5), Eukaryotic Eukaryotes 6800 0.34 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) 3.48 10.29 -13.69 2 4 0 65 302.761 4 ↓
Mid Mid (pH 6-8) 3.61 10.13 -31.19 3 4 1 64 303.769 5 ↓

Parameters Provided:

target.name = LOX15-2-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 'LOX15-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=LOX15-2-E&target.type=B10&filter.purchasability=purchasable

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