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

3897189

Analogs

5696447
5696852
5696858

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
AT1A1-2-E	Sodium/potassium-transporting ATPase Alpha-1 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A2-2-E	Sodium/potassium-transporting ATPase Alpha-2 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A3-2-E	Sodium/potassium-transporting ATPase Alpha-3 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A4-2-E	Sodium/potassium-transporting ATPase Alpha-4 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B1-2-E	Sodium/potassium-transporting ATPase Beta-1 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B2-2-E	Sodium/potassium-transporting ATPase Beta-2 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B3-2-E	Sodium/potassium-transporting ATPase Beta-3 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
ATNG-1-E	Sodium/potassium-transporting ATPase Gamma Chain (cluster #1 Of 2), Eukaryotic	Eukaryotes	20	0.40	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)	2.47	-1.54	-10.35	2	4	0	66	374.521	1	↓ MOL2 SDF SMILES Flexibase

3897190

Analogs

5696447
5696852
5696858

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
AT1A1-2-E	Sodium/potassium-transporting ATPase Alpha-1 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A2-2-E	Sodium/potassium-transporting ATPase Alpha-2 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A3-2-E	Sodium/potassium-transporting ATPase Alpha-3 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A4-2-E	Sodium/potassium-transporting ATPase Alpha-4 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B1-2-E	Sodium/potassium-transporting ATPase Beta-1 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B2-2-E	Sodium/potassium-transporting ATPase Beta-2 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B3-2-E	Sodium/potassium-transporting ATPase Beta-3 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
ATNG-1-E	Sodium/potassium-transporting ATPase Gamma Chain (cluster #1 Of 2), Eukaryotic	Eukaryotes	20	0.40	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)	2.47	-1.91	-11.7	2	4	0	66	374.521	1	↓ MOL2 SDF SMILES Flexibase

3897191

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
AT1A1-2-E	Sodium/potassium-transporting ATPase Alpha-1 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A2-2-E	Sodium/potassium-transporting ATPase Alpha-2 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A3-2-E	Sodium/potassium-transporting ATPase Alpha-3 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A4-2-E	Sodium/potassium-transporting ATPase Alpha-4 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B1-2-E	Sodium/potassium-transporting ATPase Beta-1 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B2-2-E	Sodium/potassium-transporting ATPase Beta-2 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B3-2-E	Sodium/potassium-transporting ATPase Beta-3 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
ATNG-1-E	Sodium/potassium-transporting ATPase Gamma Chain (cluster #1 Of 2), Eukaryotic	Eukaryotes	20	0.40	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)	2.47	-1.85	-11.16	2	4	0	66	374.521	1	↓ MOL2 SDF SMILES Flexibase

3897192

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
AT1A1-2-E	Sodium/potassium-transporting ATPase Alpha-1 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A2-2-E	Sodium/potassium-transporting ATPase Alpha-2 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A3-2-E	Sodium/potassium-transporting ATPase Alpha-3 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1A4-2-E	Sodium/potassium-transporting ATPase Alpha-4 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B1-2-E	Sodium/potassium-transporting ATPase Beta-1 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B2-2-E	Sodium/potassium-transporting ATPase Beta-2 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
AT1B3-2-E	Sodium/potassium-transporting ATPase Beta-3 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	20	0.40	Binding ≤ 10μM
ATNG-1-E	Sodium/potassium-transporting ATPase Gamma Chain (cluster #1 Of 2), Eukaryotic	Eukaryotes	20	0.40	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)	2.47	-1.3	-10.49	2	4	0	66	374.521	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = AT1B1_PIG
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'AT1B1\\_PIG' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=AT1B1_PIG&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', {
        "annotation.name": "AT1B1_PIG"        

    });
</script>