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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

49670025

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DUS1-1-E	Dual Specificity Protein Phosphatase 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2800	0.19	Binding ≤ 10μM
DUS3-2-E	Dual Specificity Protein Phosphatase 3 (cluster #2 Of 3), Eukaryotic	Eukaryotes	270	0.23	Binding ≤ 10μM
PTN1-1-E	Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic	Eukaryotes	2200	0.20	Binding ≤ 10μM
PTN7-1-E	Protein-tyrosine Phosphatase LC-PTP (cluster #1 Of 1), Eukaryotic	Eukaryotes	2400	0.20	Binding ≤ 10μM
PTPRC-3-E	Leukocyte Common Antigen (cluster #3 Of 3), Eukaryotic	Eukaryotes	1800	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)	0.52	8.73	-53.3	0	10	-1	134	617.776	8	↓ MOL2 SDF SMILES Flexibase

26688210

Analogs

2395351
19878963

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Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DUS3-2-E	Dual Specificity Protein Phosphatase 3 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3100	0.24	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)	0.75	9.44	-50.62	0	7	-1	97	484.604	6	↓ MOL2 SDF SMILES Flexibase

49745270

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DUS3-2-E	Dual Specificity Protein Phosphatase 3 (cluster #2 Of 3), Eukaryotic	Eukaryotes	2400	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)	-0.54	6.28	-54.68	0	11	-1	144	619.748	8	↓ MOL2 SDF SMILES Flexibase

26967571

Analogs

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Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DUS3-2-E	Dual Specificity Protein Phosphatase 3 (cluster #2 Of 3), Eukaryotic	Eukaryotes	1800	0.25	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)	0.98	9.3	-50.14	0	7	-1	97	505.022	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = DUS3-2-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 'DUS3-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=DUS3-2-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": "DUS3-2-E",        
        "target.type": "B10"        

    });
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