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

3928377

Analogs

3995903

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.52	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)	1.63	-3.47	-42.02	4	5	1	77	304.414	6	↓ MOL2 SDF SMILES Flexibase

2391110

Analogs

3872319
3872320
4899477

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	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)	-0.95	-2.44	-76.63	4	7	0	117	341.452	8	↓ MOL2 SDF SMILES Flexibase

3872319

Analogs

4899477
2391110

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	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)	-0.95	-2.44	-77.22	4	7	0	117	341.452	8	↓ MOL2 SDF SMILES Flexibase

3872320

Analogs

4899477
2391110

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	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)	-0.95	-2.53	-85.46	4	7	0	117	341.452	8	↓ MOL2 SDF SMILES Flexibase

3872321

Analogs

4899477

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	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)	-0.95	-2.4	-83.81	4	7	0	117	341.452	8	↓ MOL2 SDF SMILES Flexibase

4899730

Analogs

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Vendors

Bachem
- H-1595

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.43	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)	-3.52	-4.45	-74.13	4	7	0	117	257.29	4	↓ MOL2 SDF SMILES Flexibase

13675946

Analogs

4899732

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Popular Name: DNC013245 DNC013245

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	570	0.62	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)	-0.91	-0.43	-45.91	5	5	1	91	200.262	3	↓ MOL2 SDF SMILES Flexibase

13675950

Analogs

37813906
37813907

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Popular Name: DNC013242 DNC013242

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.50	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)	-0.14	0.64	-46.55	5	5	1	91	228.316	4	↓ MOL2 SDF SMILES Flexibase

13675952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC013241 DNC013241

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	4300	0.47	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)	-0.17	0.7	-48.03	5	5	1	91	228.316	4	↓ MOL2 SDF SMILES Flexibase

28637746

Analogs

37813899
37813900
37813901
37813902

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Popular Name: DNC013241 DNC013241

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	4300	0.47	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)	-0.17	0.58	-49.43	5	5	1	91	228.316	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.17	0.28	-14.91	4	5	0	89	227.308	4	↓ MOL2 SDF SMILES Flexibase

13675948

Analogs

4899732

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Popular Name: DNC013244 DNC013244

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	1600	0.54	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)	-0.35	0.4	-47.51	5	5	1	91	214.289	4	↓ MOL2 SDF SMILES Flexibase

13675944

Analogs

37813899
37813900
37813901
37813902

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Popular Name: DNC013246 DNC013246

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	6000	0.49	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)	-0.67	-0.25	-47.14	5	5	1	91	214.289	3	↓ MOL2 SDF SMILES Flexibase

13550655

Analogs

37813928
37813929
4899782

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Popular Name: DNC013243 DNC013243

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	2000	0.50	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)	0.15	1.18	-47.91	5	5	1	91	228.316	5	↓ MOL2 SDF SMILES Flexibase

4899732

Analogs

13675946
13675948

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Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TPP2-1-E	Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.61	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)	-1.45	-5.33	-48.26	5	5	1	91	186.235	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = TPP2-1-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 'TPP2-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=TPP2-1-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": "TPP2-1-E",        
        "target.type": "B10"        

    });
</script>