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

3194801

Analogs

5344304
17030884
17030885

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Popular Name:

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
2A5A-1-E	Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.33	Binding ≤ 10μM
2ABG-1-E	Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.33	Binding ≤ 10μM
PP2AA-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.33	Binding ≤ 10μM
PP2AB-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.33	Binding ≤ 10μM
PTPA-1-E	Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.33	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)	1.19	-2.31	-127.08	1	7	-2	118	301.254	4	↓ MOL2 SDF SMILES Flexibase

5344304

Analogs

17030884
17030885
3194801

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Popular Name:

Find On: PubMed — Wikipedia — Google

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And 5 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
2A5A-1-E	Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.33	Binding ≤ 10μM
2ABG-1-E	Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.33	Binding ≤ 10μM
PP2AA-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.33	Binding ≤ 10μM
PP2AB-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.33	Binding ≤ 10μM
PTPA-1-E	Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.33	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)	1.19	-1.99	-133.73	1	7	-2	118	301.254	4	↓ MOL2 SDF SMILES Flexibase

5344471

Analogs

5344474
17023382
17023385

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Popular Name:

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
2A5A-1-E	Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	9200	0.35	Binding ≤ 10μM
2ABG-1-E	Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	9200	0.35	Binding ≤ 10μM
PP2AA-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	9200	0.35	Binding ≤ 10μM
PP2AB-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	9200	0.35	Binding ≤ 10μM
PTPA-1-E	Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic	Eukaryotes	9200	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)	1.98	-1.65	-57.86	1	5	-1	78	292.698	3	↓ MOL2 SDF SMILES Flexibase

5344474

Analogs

17023382
17023385
5344471

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Popular Name:

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And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
2A5A-1-E	Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	9200	0.35	Binding ≤ 10μM
2ABG-1-E	Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	9200	0.35	Binding ≤ 10μM
PP2AA-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	9200	0.35	Binding ≤ 10μM
PP2AB-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	9200	0.35	Binding ≤ 10μM
PTPA-1-E	Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic	Eukaryotes	9200	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)	1.98	-2.06	-54.77	1	5	-1	78	292.698	3	↓ MOL2 SDF SMILES Flexibase

28098979

Analogs

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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
2A5A-1-E	Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7700	0.31	Binding ≤ 10μM
2ABG-1-E	Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7700	0.31	Binding ≤ 10μM
PP2AA-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7700	0.31	Binding ≤ 10μM
PP2AB-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7700	0.31	Binding ≤ 10μM
PTPA-1-E	Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic	Eukaryotes	7700	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)	1.47	4.71	-56.66	1	7	-1	105	318.305	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.47	3.59	-14.53	2	7	0	102	319.313	5	↓ MOL2 SDF SMILES Flexibase

28098985

Analogs

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And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
2A5A-1-E	Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7700	0.31	Binding ≤ 10μM
2ABG-1-E	Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7700	0.31	Binding ≤ 10μM
PP2AA-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7700	0.31	Binding ≤ 10μM
PP2AB-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	7700	0.31	Binding ≤ 10μM
PTPA-1-E	Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic	Eukaryotes	7700	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)	1.47	5.45	-66.85	1	7	-1	105	318.305	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.47	4.33	-31.29	2	7	0	102	319.313	5	↓ MOL2 SDF SMILES Flexibase

25605611

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
2A5A-1-E	Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.51	Binding ≤ 10μM
2ABG-1-E	Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.51	Binding ≤ 10μM
PP2AA-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.51	Binding ≤ 10μM
PP2AB-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.51	Binding ≤ 10μM
PTPA-1-E	Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.51	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)	-0.59	2.69	-60.54	0	5	-1	70	210.209	2	↓ MOL2 SDF SMILES Flexibase

25605618

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
2A5A-1-E	Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.51	Binding ≤ 10μM
2ABG-1-E	Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.51	Binding ≤ 10μM
PP2AA-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.51	Binding ≤ 10μM
PP2AB-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.51	Binding ≤ 10μM
PTPA-1-E	Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.51	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)	-0.59	2.23	-54.03	0	5	-1	70	210.209	2	↓ MOL2 SDF SMILES Flexibase

17611186

Analogs

36175852
8674160
8143882

Draw Identity 99% 90% 80% 70%

Popular Name: cantharidin cantharidin

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
2A5A-1-E	Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	600	0.62	Binding ≤ 10μM
2AAA-1-E	Serine/threonine Protein Phosphatase 2A, 65 KDa Regulatory Subunit A, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	8000	0.51	Binding ≤ 10μM
2ABG-1-E	Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	600	0.62	Binding ≤ 10μM
PP1A-1-E	Serine/threonine Protein Phosphatase PP1-alpha Catalytic Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	500	0.63	Binding ≤ 10μM
PP1G-1-E	Serine/threonine Protein Phosphatase PP1-gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	500	0.63	Binding ≤ 10μM
PP2AA-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	600	0.62	Binding ≤ 10μM
PP2AB-1-E	Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	65	0.72	Binding ≤ 10μM
PPM1B-1-E	Protein Phosphatase 2C Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	430	0.64	Binding ≤ 10μM
PPM1J-1-E	Protein Phosphatase 2A Catalytic Subunit Zeta (cluster #1 Of 1), Eukaryotic	Eukaryotes	65	0.72	Binding ≤ 10μM
PTN1-3-E	Protein-tyrosine Phosphatase 1B (cluster #3 Of 4), Eukaryotic	Eukaryotes	3600	0.54	Binding ≤ 10μM
PTPA-1-E	Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic	Eukaryotes	600	0.62	Binding ≤ 10μM
Q8AWE3-1-E	Serine-threonine Protein Phosphatase 2A Regulatory Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	360	0.64	Binding ≤ 10μM
Z50425-1-O	Plasmodium Falciparum (cluster #1 Of 22), Other	Other	9000	0.50	Functional ≤ 10μM
Z80001-2-O	143B (cluster #2 Of 2), Other	Other	10000	0.50	Functional ≤ 10μM
Z80166-2-O	HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other	Other	6400	0.52	Functional ≤ 10μM
Z80928-4-O	HCT-116 (Colon Carcinoma Cells) (cluster #4 Of 9), Other	Other	9000	0.50	Functional ≤ 10μM
Z81034-2-O	A2780 (Ovarian Carcinoma Cells) (cluster #2 Of 10), Other	Other	10000	0.50	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)	1.37	4.64	-10.95	0	4	0	53	196.202	0	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = 2ABG-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 '2ABG-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=2ABG-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": "2ABG-1-E",        
        "target.type": "B10"        

    });
</script>