ZINC 12

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)	4.55	9.31	-48.17	1	4	-1	70	349.491	12	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.55	8.19	-10.97	2	4	0	67	350.499	12	↓ MOL2 SDF SMILES Flexibase

3794314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: SQ-29548 SQ-29548

Find On: PubMed — Wikipedia — Google

Vendors

Cayman Chemical
- 19025

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TA2R-2-E	Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	36	0.37	Binding ≤ 10μM
Z50587-5-O	Homo Sapiens (cluster #5 Of 9), Other	Other	60	0.36	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	9000	0.25	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	3	0.43	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	-5.48	-56.11	3	7	-1	102	386.472	10	↓ MOL2 SDF SMILES Flexibase

13815393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: SQ-29548 SQ-29548

Find On: PubMed — Wikipedia — Google

Vendors

Cayman Chemical
- 19025

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TA2R-2-E	Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	36	0.37	Binding ≤ 10μM
Z50587-5-O	Homo Sapiens (cluster #5 Of 9), Other	Other	60	0.36	Functional ≤ 10μM
Z50592-3-O	Oryctolagus Cuniculus (cluster #3 Of 8), Other	Other	9000	0.25	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	3	0.43	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	7.62	-52.86	3	7	-1	103	386.472	10	↓ MOL2 SDF SMILES Flexibase

13649924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: I-BOP I-BOP

Find On: PubMed — Wikipedia — Google

Vendors

Cayman Chemical
- 19600

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TA2R-2-E	Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	50	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)	4.75	10.15	-50.62	1	5	-1	79	511.376	11	↓ MOL2 SDF SMILES Flexibase

8716754

Analogs

13527429
25722847

Draw Identity 99% 90% 80% 70%

Popular Name: U-46619 U-46619

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TA2R-2-E	Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
TA2R-2-E	Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	31	0.42	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)	4.55	10.28	-47.18	1	4	-1	70	349.491	12	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.55	8.3	-7.69	2	4	0	67	350.499	12	↓ MOL2 SDF SMILES Flexibase

8437239

Analogs

36190184

Draw Identity 99% 90% 80% 70%

Popular Name: SERATRODAST SERATRODAST

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TA2R-2-E	Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
TA2R-2-E	Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	7	0.44	Binding ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	350	0.35	Functional ≤ 10μM
Z50592-5-O	Oryctolagus Cuniculus (cluster #5 Of 8), Other	Other	100	0.38	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)	4.48	3.07	-50.3	0	4	-1	74	353.438	8	↓ MOL2 SDF SMILES Flexibase

36190184

Analogs

8437239

Draw Identity 99% 90% 80% 70%

Popular Name: SERATRODAST SERATRODAST

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TA2R-2-E	Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
TA2R-2-E	Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	7	0.44	Binding ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	350	0.35	Functional ≤ 10μM
Z50592-5-O	Oryctolagus Cuniculus (cluster #5 Of 8), Other	Other	100	0.38	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)	4.48	13.09	-48.47	0	4	-1	74	353.438	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.48	11.11	-10.07	1	4	0	71	354.446	8	↓ MOL2 SDF SMILES Flexibase

3960638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: S 5751 S 5751

Find On: PubMed — Wikipedia — Google

Vendors

Ryan Scientific
- 048-04737
Ryan Scientific BB
- 093-62036

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PD2R-1-E	Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
TA2R-2-E	Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	96	0.32	Binding ≤ 10μM
PD2R-1-E	Prostanoid DP Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.41	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)	5.36	-1.8	-61.15	2	5	-1	89	440.585	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = TA2R-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 'TA2R-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=TA2R-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": "TA2R-2-E",        
        "target.type": "B10"        

    });
</script>