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)	3.78	11.19	-13.24	0	6	0	70	466.946	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.78	11.46	-43.29	1	6	1	72	467.954	7	↓ MOL2 SDF SMILES Flexibase

2162241

Analogs

2162251
2161776

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	5870	0.23	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	2.43	-11.67	0	5	0	57	449.503	7	↓ MOL2 SDF SMILES Flexibase

9295934

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	1630	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)	4.87	1.65	-55.62	0	6	-1	88	462.478	7	↓ MOL2 SDF SMILES Flexibase

1104085

Analogs

5736710

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	2690	0.27	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)	4.80	1.33	-9.04	0	4	0	48	401.487	6	↓ MOL2 SDF SMILES Flexibase

3002717

Analogs

2161769

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	700	0.29	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)	4.96	2.06	-8.62	0	4	0	48	419.477	6	↓ MOL2 SDF SMILES Flexibase

33293951

Analogs

6922834

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	111	0.36	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)	2.39	10.1	-14.23	0	6	0	66	379.441	3	↓ MOL2 SDF SMILES Flexibase

8438335

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	261	0.29	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)	5.60	-2.19	-16.91	1	6	0	81	479.97	5	↓ MOL2 SDF SMILES Flexibase

985827

Analogs

4146949
4146950

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	46	0.33	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)	4.30	8.17	-8.69	3	6	0	91	413.525	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.66	8.07	-44.78	3	6	0	88	414.533	5	↓ MOL2 SDF SMILES Flexibase

985828

Analogs

4146949
4146950

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	46	0.33	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)	4.30	8.25	-8.6	3	6	0	91	413.525	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.66	7.98	-65.78	3	6	0	88	414.533	5	↓ MOL2 SDF SMILES Flexibase

8438953

Analogs

26920337
26920341

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	161	0.27	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)	4.67	1.28	-60.1	0	7	-1	97	488.541	9	↓ MOL2 SDF SMILES Flexibase

15010106

Analogs

3983341

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	56	0.29	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)	4.46	12.04	-58.19	0	7	-1	98	492.504	8	↓ MOL2 SDF SMILES Flexibase

33422762

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	187	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)	3.20	8.86	-47.5	0	5	-1	79	356.354	4	↓ MOL2 SDF SMILES Flexibase

64857890

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Popular Name: S32826 S32826

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	9	0.42	Binding ≤ 10μM
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	367	0.33	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)	6.32	10.7	-49.65	2	5	-1	89	396.488	15	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.32	11.82	-139.04	1	5	-2	92	395.48	15	↓ MOL2 SDF SMILES Flexibase

1127081

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	6500	0.22	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)	3.44	-3.48	-63.49	1	9	-1	106	506.395	6	↓ MOL2 SDF SMILES Flexibase

29064337

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Vitas-M
- STK333584
eMolecules
- 2245047

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	2700	0.19	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)	3.50	15.55	-78.69	1	11	-1	133	569.623	6	↓ MOL2 SDF SMILES Flexibase

3130150

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	6800	0.19	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)	7.27	2.97	-60.61	0	7	-1	105	512.497	6	↓ MOL2 SDF SMILES Flexibase

34801951

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Popular Name: USP) USP)

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CLAT-2-E	Choline Acetylase (cluster #2 Of 2), Eukaryotic	Eukaryotes	100	0.21	Binding ≤ 10μM
DYR-1-E	Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic	Eukaryotes	400	0.19	Binding ≤ 10μM
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	1890	0.17	Binding ≤ 10μM
AMPC-6-B	Beta-lactamase (cluster #6 Of 6), Bacterial	Bacteria	650	0.19	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)	3.15	5.66	-122.53	4	12	-2	216	650.698	7	↓ MOL2 SDF SMILES Flexibase

2935797

Analogs

16677618
550212

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Vitas-M
- STK018616
eMolecules
- 2101859

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	5000	0.17	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)	5.53	0.9	-113.12	0	11	-2	175	586.512	8	↓ MOL2 SDF SMILES Flexibase

2429273

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	5700	0.23	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)	2.83	-3.46	-64.03	1	9	-1	106	471.95	6	↓ MOL2 SDF SMILES Flexibase

1440909

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-1-E	Autotaxin (cluster #1 Of 2), Eukaryotic	Eukaryotes	900	0.24	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)	3.03	-0.64	-65.35	1	9	-1	106	505.502	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = ENPP2-1-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 'ENPP2-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=ENPP2-1-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": "ENPP2-1-E",        
        "target.type": "B10"        

    });
</script>