ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

4546338

Analogs

13509261
13509268
33838793
33838794
4546334

Draw Identity 99% 90% 80% 70%

Popular Name: 5-HETE 5-HETE

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LOX5-2-E	Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic	Eukaryotes	2000	0.35	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.26	11.99	-45.99	1	3	-1	60	319.465	14	↓ MOL2 SDF SMILES Flexibase

8396340

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LOX5-2-E	Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic	Eukaryotes	9800	0.17	Binding ≤ 10μM
PTGES-1-E	Prostaglandin E Synthase (cluster #1 Of 2), Eukaryotic	Eukaryotes	2600	0.19	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.45	2.4	-47.31	2	0	-1	86	639.994	6	↓ MOL2 SDF SMILES Flexibase

12496555

Analogs

27642951
64858072
64858075
64858076

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LOX5-2-E	Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic	Eukaryotes	3	0.44	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.38	8.1	-53.4	2	4	-1	81	389.434	15	↓ MOL2 SDF SMILES Flexibase

1529186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Docebenone Docebenone

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-220123

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LOX5-2-E	Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic	Eukaryotes	32	0.44	Binding ≤ 10μM
LOX5-7-E	Arachidonate 5-lipoxygenase (cluster #7 Of 7), Eukaryotic	Eukaryotes	90	0.41	Functional ≤ 10μM
Z50425-4-O	Plasmodium Falciparum (cluster #4 Of 22), Other	Other	3981	0.32	Functional ≤ 10μM
Z50597-6-O	Rattus Norvegicus (cluster #6 Of 12), Other	Other	80	0.41	Functional ≤ 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.69	1.88	-12.03	1	3	0	54	326.436	6	↓ MOL2 SDF SMILES Flexibase

4546379

Analogs

4546470
4629861
5513130
5978211
13514103

Draw Identity 99% 90% 80% 70%

Popular Name: 15R-HETE 15R-HETE

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LOX5-2-E	Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic	Eukaryotes	7300	0.31	Binding ≤ 10μM
LOX5-2-E	Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic	Eukaryotes	7300	0.31	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.26	10.86	-47	1	3	-1	60	319.465	14	↓ MOL2 SDF SMILES Flexibase

4629861

Analogs

33822378
4546379
4546470

Draw Identity 99% 90% 80% 70%

Popular Name: 15(S)-HETE 15(S)-HETE

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LOX5-2-E	Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic	Eukaryotes	7300	0.31	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.26	12	-44.82	1	3	-1	60	319.465	14	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.26	10.02	-7.29	2	3	0	58	320.473	14	↓ MOL2 SDF SMILES Flexibase

8220105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 15(S)-HpETE 15(S)-HpETE

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LOX5-2-E	Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic	Eukaryotes	3400	0.32	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.56	-0.08	-48.18	1	4	-1	69	335.464	15	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = LOX5-2-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 'LOX5-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=LOX5-2-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "target.name": "LOX5-2-E",        
        "target.type": "B10"        

    });
</script>