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Quick Search ZINC ID or SMILES

Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

13507607

Analogs

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Vendors

Bachem
- N-1325

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
UPAR-1-E	Urokinase Plasminogen Activator Surface Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.46	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	3	0.46	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)	-3.16	0.37	-100.21	10	11	1	207	393.852	14	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.16	0.06	-78.85	9	11	0	205	392.844	14	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.29	0.08	-78.07	9	11	0	207	392.844	13	↓ MOL2 SDF SMILES Flexibase

945066

Analogs

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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
ELNE-1-E	Neutrophil Elastase (cluster #1 Of 3), Eukaryotic	Eukaryotes	1600	0.30	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	2500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.15	0.4	-17.91	2	10	0	136	371.353	6	↓ MOL2 SDF SMILES Flexibase

945067

Analogs

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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
ELNE-1-E	Neutrophil Elastase (cluster #1 Of 3), Eukaryotic	Eukaryotes	1600	0.30	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	2500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.34	7.53	-57.55	1	10	-1	142	370.345	6	↓ MOL2 SDF SMILES Flexibase

37170

Analogs

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Popular Name: DNC007633 DNC007633

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And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ELNE-1-E	Neutrophil Elastase (cluster #1 Of 3), Eukaryotic	Eukaryotes	65	0.59	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	1300	0.48	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)	2.15	2.72	-6.87	0	6	0	80	231.211	2	↓ MOL2 SDF SMILES Flexibase

37160

Analogs

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Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ELNE-1-E	Neutrophil Elastase (cluster #1 Of 3), Eukaryotic	Eukaryotes	24	0.63	Binding ≤ 10μM
THRB-8-E	Prothrombin (cluster #8 Of 8), Eukaryotic	Eukaryotes	680	0.51	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	170	0.56	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)	2.40	2.32	-9.96	0	6	0	80	251.629	2	↓ MOL2 SDF SMILES Flexibase

68809

Analogs

6529340

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Popular Name:

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Vendors

And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ELNE-1-E	Neutrophil Elastase (cluster #1 Of 3), Eukaryotic	Eukaryotes	2500	0.37	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	2500	0.37	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)	2.07	-1.96	-11.37	2	5	0	67	284.315	5	↓ MOL2 SDF SMILES Flexibase

45767

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ELNE-1-E	Neutrophil Elastase (cluster #1 Of 3), Eukaryotic	Eukaryotes	24	0.44	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	120	0.40	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	1100	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)	4.54	10.27	-6.67	0	4	0	52	322.339	3	↓ MOL2 SDF SMILES Flexibase

37189

Analogs

6200445

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Popular Name:

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Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ELNE-1-E	Neutrophil Elastase (cluster #1 Of 3), Eukaryotic	Eukaryotes	3100	0.39	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	2500	0.39	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)	2.80	3.01	-11.74	0	5	0	60	287.706	2	↓ MOL2 SDF SMILES Flexibase

37157

Analogs

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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
ELNE-1-E	Neutrophil Elastase (cluster #1 Of 3), Eukaryotic	Eukaryotes	107	0.54	Binding ≤ 10μM
KLKB1-1-E	Plasma Kallikrein (cluster #1 Of 3), Eukaryotic	Eukaryotes	4400	0.42	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	2800	0.43	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	1500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	3.32	-8.08	0	6	0	80	249.201	2	↓ MOL2 SDF SMILES Flexibase

45357357

Analogs

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Vendors

Chembo Pharma
- KB-71428

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	960	0.27	Binding ≤ 10μM
FA9-1-E	Coagulation Factor IX (cluster #1 Of 1), Eukaryotic	Eukaryotes	29	0.34	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	250	0.30	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)	4.25	8.39	-38.54	6	6	1	102	431.541	7	↓ MOL2 SDF SMILES Flexibase

45357359

Analogs

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Vendors

Chembo Pharma
- KB-71428

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	960	0.27	Binding ≤ 10μM
FA9-1-E	Coagulation Factor IX (cluster #1 Of 1), Eukaryotic	Eukaryotes	29	0.34	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	250	0.30	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)	4.25	8.46	-39.61	6	6	1	102	431.541	7	↓ MOL2 SDF SMILES Flexibase

4426028

Analogs

4426033

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Popular Name: ethyl ethyl

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Vendors

Chembo Pharma
- KB-81493

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FA10-1-E	Coagulation Factor X (cluster #1 Of 2), Eukaryotic	Eukaryotes	1700	0.19	Binding ≤ 10μM
KLKB1-1-E	Plasma Kallikrein (cluster #1 Of 3), Eukaryotic	Eukaryotes	7200	0.17	Binding ≤ 10μM
PLMN-2-E	Plasminogen (cluster #2 Of 2), Eukaryotic	Eukaryotes	390	0.21	Binding ≤ 10μM
ST14-1-E	Matriptase (cluster #1 Of 1), Eukaryotic	Eukaryotes	320	0.21	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	490	0.21	Binding ≤ 10μM
TRY1-4-E	Trypsin I (cluster #4 Of 5), Eukaryotic	Eukaryotes	37	0.24	Binding ≤ 10μM
TRYG1-1-E	Tryptase Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	6300	0.17	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	410	0.21	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)	4.30	10.74	-41.24	5	10	1	148	614.833	12	↓ MOL2 SDF SMILES Flexibase

4426033

Analogs

4426028

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-81493

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLMN-2-E	Plasminogen (cluster #2 Of 2), Eukaryotic	Eukaryotes	1200	0.19	Binding ≤ 10μM
TRY2-1-E	Trypsin II (cluster #1 Of 3), Eukaryotic	Eukaryotes	120	0.23	Binding ≤ 10μM
UROK-2-E	Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic	Eukaryotes	960	0.20	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)	4.30	10.52	-48.64	5	10	1	148	614.833	12	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = UROK-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 'UROK-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=UROK-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": "UROK-2-E",        
        "target.type": "B10"        

    });
</script>