ZINC 12

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Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

66065874

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
SC5A2-1-E	Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.40	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SC5A2_HUMAN	P31639	Sodium/glucose Cotransporter 2, Human	6.11	0.40	Binding ≤ 1μM
SC5A2_HUMAN	P31639	Sodium/glucose Cotransporter 2, Human	6.11	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)	1.37	-1.23	-14.89	4	7	0	116	421.446	5	↓ MOL2 SDF SMILES Flexibase

66066594

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
SC5A2-1-E	Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	10	0.35	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SC5A2_HUMAN	P31639	Sodium/glucose Cotransporter 2, Human	9.73	0.35	Binding ≤ 1μM
SC5A2_HUMAN	P31639	Sodium/glucose Cotransporter 2, Human	9.73	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)	2.10	-0.68	-13.45	4	7	0	116	471.453	6	↓ MOL2 SDF SMILES Flexibase

66066596

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
SC5A2-1-E	Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	23	0.38	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SC5A2_HUMAN	P31639	Sodium/glucose Cotransporter 2, Human	22.6	0.38	Binding ≤ 1μM
SC5A2_HUMAN	P31639	Sodium/glucose Cotransporter 2, Human	22.6	0.38	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)	1.26	-1.27	-14.8	4	7	0	116	403.456	5	↓ MOL2 SDF SMILES Flexibase

66066597

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
SC5A2-1-E	Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	37	0.35	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SC5A2_HUMAN	P31639	Sodium/glucose Cotransporter 2, Human	36.7	0.35	Binding ≤ 1μM
SC5A2_HUMAN	P31639	Sodium/glucose Cotransporter 2, Human	36.7	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)	0.96	-1.04	-17.3	4	8	0	140	428.466	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 465793
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 465793 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=465793&filter.purchasability=annotated

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', {
        "ring.id": "465793"        

    });
</script>

ZINC 12

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Physical Representations

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Physical Representations

Analogs

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Physical Representations

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Activity (Go SEA)

Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results