ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PE2R2-1-E	Prostanoid EP2 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	7200	0.22	Binding ≤ 10μM
PE2R3-1-E	Prostanoid EP3 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	3300	0.23	Binding ≤ 10μM
PE2R4-1-E	Prostanoid EP4 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
PE2R4-1-E	Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.36	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	250	0.28	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)	5.89	14.08	-59.26	1	4	-1	69	472.508	7	↓ MOL2 SDF SMILES Flexibase

36349281

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PE2R3-1-E	Prostanoid EP3 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.34	Binding ≤ 10μM
PE2R4-1-E	Prostanoid EP4 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	890	0.25	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)	6.57	10.31	-67.16	0	5	-1	79	535.439	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.39	12.28	-17.67	1	5	0	72	536.447	7	↓ MOL2 SDF SMILES Flexibase

29125295

Analogs

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Popular Name: MF498 MF498

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Vendors

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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	1200	0.19	Binding ≤ 10μM
PE2R2-1-E	Prostanoid EP2 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	1900	0.19	Binding ≤ 10μM
PE2R3-1-E	Prostanoid EP3 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	4000	0.18	Binding ≤ 10μM
PE2R4-1-E	Prostanoid EP4 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	4	0.27	Binding ≤ 10μM
PF2R-1-E	Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2000	0.19	Binding ≤ 10μM
TA2R-1-E	Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	630	0.20	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)	4.47	10.46	-61.22	0	10	-1	130	602.689	11	↓ MOL2 SDF SMILES Flexibase

3961849

Analogs

27646610
34826099

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And 11 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GPR44-1-E	G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic	Eukaryotes	745	0.30	Binding ≤ 10μM
PD2R-1-E	Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.43	Binding ≤ 10μM
PD2R-1-E	Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	9	0.39	Binding ≤ 10μM
PE2R1-1-E	Prostanoid EP1 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	1160	0.29	Binding ≤ 10μM
PE2R2-1-E	Prostanoid EP2 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	136	0.33	Binding ≤ 10μM
PE2R3-1-E	Prostanoid EP3 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	892	0.29	Binding ≤ 10μM
PF2R-1-E	Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	9991	0.24	Binding ≤ 10μM
PI2R-1-E	Prostanoid IP Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	6628	0.25	Binding ≤ 10μM
TA2R-1-E	Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.41	Binding ≤ 10μM
PD2R-1-E	Prostanoid DP Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.41	Functional ≤ 10μM
TA2R-1-E	Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	770	0.30	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)	1.07	-1.2	-48.64	0	5	-1	79	434.896	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.27	15.64	-7.97	0	3	0	36	414.545	3	↓ MOL2 SDF SMILES Flexibase

2651404

Analogs

25445262

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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
PE2R3-1-E	Prostanoid EP3 Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	100	0.43	Binding ≤ 10μM
PE2R3-1-E	Prostanoid EP3 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	79	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)	2.51	-0.39	-17.57	1	6	0	73	333.413	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = PE2R3-1-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 'PE2R3-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=PE2R3-1-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": "PE2R3-1-E",        
        "target.type": "B10"        

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