ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	425	0.28	Binding ≤ 10μM
LPAR2-1-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1740	0.25	Binding ≤ 10μM
LPAR3-1-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1740	0.25	Binding ≤ 10μM
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	762	0.27	Functional ≤ 10μM
LPAR2-3-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #3 Of 4), Eukaryotic	Eukaryotes	3384	0.24	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	3384	0.24	Functional ≤ 10μM
Z80390-1-O	PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other	Other	3384	0.24	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)	4.80	13.28	-48.06	1	7	-1	104	473.958	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-4.82	-3.88	-40.25	5	8	1	122	272.281	3	↓ MOL2 SDF SMILES Flexibase

13648514

Analogs

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Popular Name: Ki16425 Ki16425

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Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	425	0.28	Binding ≤ 10μM
LPAR2-1-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1740	0.25	Binding ≤ 10μM
LPAR3-1-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1740	0.25	Binding ≤ 10μM
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	762	0.27	Functional ≤ 10μM
LPAR2-3-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #3 Of 4), Eukaryotic	Eukaryotes	3384	0.24	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	3384	0.24	Functional ≤ 10μM
Z80390-1-O	PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other	Other	3384	0.24	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)	4.80	13.28	-48.01	1	7	-1	104	473.958	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-4.82	-2.1	-40.24	5	8	1	122	272.281	3	↓ MOL2 SDF SMILES Flexibase

39426736

Analogs

39899683

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR2-4-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #4 Of 4), Eukaryotic	Eukaryotes	28	0.38	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	7020	0.26	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)	1.62	8.38	-94.92	2	8	-2	138	378.34	7	↓ MOL2 SDF SMILES Flexibase

2924824

Analogs

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And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR2-4-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #4 Of 4), Eukaryotic	Eukaryotes	9	0.31	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	310	0.25	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)	3.31	-0.63	-99	2	10	-2	156	486.436	10	↓ MOL2 SDF SMILES Flexibase

1679105

Analogs

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Vendors

NCI Plated 2007
- 47091

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR2-4-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #4 Of 4), Eukaryotic	Eukaryotes	355	0.36	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	30	0.42	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)	-0.70	2.89	-161.25	2	10	-3	179	345.243	7	↓ MOL2 SDF SMILES Flexibase

1210352

Analogs

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Vendors

Scientific Exchange (make on demand)
- X-072292
Ambinter
- Amb8566215

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	48	0.34	Binding ≤ 10μM
LPAR3-1-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic	Eukaryotes	230	0.31	Binding ≤ 10μM
LPAR5-1-E	Lysophosphatidic Acid Receptor 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	292	0.30	Binding ≤ 10μM
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	94	0.33	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	752	0.29	Functional ≤ 10μM
LPAR5-2-E	Lysophosphatidic Acid Receptor 5 (cluster #2 Of 2), Eukaryotic	Eukaryotes	463	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)	4.59	2.17	-46.27	0	9	-1	134	403.326	5	↓ MOL2 SDF SMILES Flexibase

205636

Analogs

3212935

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Popular Name:

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Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	311	0.40	Binding ≤ 10μM
LPAR3-1-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1084	0.36	Binding ≤ 10μM
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	609	0.38	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	2992	0.34	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)	2.95	1.7	-52.89	0	6	-1	88	310.285	4	↓ MOL2 SDF SMILES Flexibase

4599679

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	4504	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)	2.44	1.92	-56.09	0	9	-1	134	341.255	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = LPAR3-3-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 'LPAR3-3-E' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=LPAR3-3-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": "LPAR3-3-E",        
        "target.type": "F10"        

    });
</script>