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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

57637

Analogs

Draw Identity 99% 90% 80% 70%

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Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 17 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TS1R2-1-E	Taste Receptor Type 1 Member 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5700	0.49	Functional ≤ 10μM
TS1R3-1-E	Taste Receptor Type 1 Member 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5700	0.49	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)	3.49	7.44	-41.57	0	3	-1	49	268.503	3	↓ MOL2 SDF SMILES Flexibase

57638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 19 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TS1R2-1-E	Taste Receptor Type 1 Member 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5700	0.49	Functional ≤ 10μM
TS1R3-1-E	Taste Receptor Type 1 Member 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5700	0.49	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)	3.49	0.79	-42.84	0	3	-1	49	268.503	3	↓ MOL2 SDF SMILES Flexibase

56613

Analogs

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Vendors

And 42 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TS1R2-1-E	Taste Receptor Type 1 Member 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5300	0.53	Functional ≤ 10μM
TS1R3-1-E	Taste Receptor Type 1 Member 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5300	0.53	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)	2.89	0.93	-45.16	0	3	-1	49	234.058	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.74	7.66	-16.3	1	8	0	92	360.366	5	↓ MOL2 SDF SMILES Flexibase

56614

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 45 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TS1R2-1-E	Taste Receptor Type 1 Member 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5300	0.53	Functional ≤ 10μM
TS1R3-1-E	Taste Receptor Type 1 Member 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5300	0.53	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)	2.89	6.98	-44.03	0	3	-1	49	234.058	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.74	7.77	-26.89	1	8	0	92	360.366	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = TS1R3-1-E
target.type = F10
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 'TS1R3-1-E' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=TS1R3-1-E&target.type=F10&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": "TS1R3-1-E",        
        "target.type": "F10"        

    });
</script>