ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

19796168

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 38 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNCG-1-E	Phosphodiesterase 6H (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.31	Binding ≤ 10μM
CNRG-1-E	Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.31	Binding ≤ 10μM
E1BN64-1-E	Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic	Eukaryotes	9200	0.21	Binding ≤ 10μM
KCNH2-1-E	HERG (cluster #1 Of 5), Eukaryotic	Eukaryotes	5480	0.22	Binding ≤ 10μM
O77823-1-E	Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic	Eukaryotes	4600	0.23	Binding ≤ 10μM
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	3100	0.23	Binding ≤ 10μM
PDE11-1-E	Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.23	Binding ≤ 10μM
PDE1A-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.27	Binding ≤ 10μM
PDE1B-1-E	Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	300	0.28	Binding ≤ 10μM
PDE1C-1-E	Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic	Eukaryotes	300	0.28	Binding ≤ 10μM
PDE3A-1-E	Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	7000	0.22	Binding ≤ 10μM
PDE3B-1-E	Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic	Eukaryotes	7000	0.22	Binding ≤ 10μM
PDE4A-3-E	Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic	Eukaryotes	4600	0.23	Binding ≤ 10μM
PDE4B-1-E	Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic	Eukaryotes	9600	0.21	Binding ≤ 10μM
PDE4C-1-E	Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic	Eukaryotes	9600	0.21	Binding ≤ 10μM
PDE4D-1-E	Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic	Eukaryotes	9600	0.21	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.35	Binding ≤ 10μM
PDE6A-1-E	Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.31	Binding ≤ 10μM
PDE6B-1-E	Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.31	Binding ≤ 10μM
PDE6C-1-E	Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.31	Binding ≤ 10μM
PDE6D-1-E	Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic	Eukaryotes	74	0.30	Binding ≤ 10μM
PDE9A-1-E	Phosphodiesterase 9A (cluster #1 Of 1), Eukaryotic	Eukaryotes	3400	0.23	Binding ≤ 10μM
Q864F1-1-E	Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.34	Binding ≤ 10μM
Q9EPR9-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	300	0.28	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.34	Functional ≤ 10μM
Q864F1-1-E	Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	19	0.33	Functional ≤ 10μM
Z50590-1-O	Sus Scrofa (cluster #1 Of 1), Other	Other	38	0.31	Functional ≤ 10μM
Z50592-1-O	Oryctolagus Cuniculus (cluster #1 Of 8), Other	Other	8	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)	2.51	4.42	-15.04	1	10	0	113	474.587	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.51	4.17	-20.18	1	10	0	113	474.587	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.97	2.87	-54.77	0	10	-1	117	473.579	7	↓ MOL2 SDF SMILES Flexibase

14953365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Zaprinast Zaprinast

Find On: PubMed — Wikipedia — Google

Vendors

And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNCG-1-E	Phosphodiesterase 6H (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.45	Binding ≤ 10μM
CNRG-1-E	Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.45	Binding ≤ 10μM
PDE1A-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	6000	0.37	Binding ≤ 10μM
PDE1B-1-E	Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	9400	0.35	Binding ≤ 10μM
PDE1C-1-E	Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic	Eukaryotes	9400	0.35	Binding ≤ 10μM
PDE4D-2-E	Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic	Eukaryotes	8760	0.35	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic	Eukaryotes	500	0.44	Binding ≤ 10μM
PDE6A-1-E	Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.45	Binding ≤ 10μM
PDE6B-1-E	Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.45	Binding ≤ 10μM
PDE6C-1-E	Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.45	Binding ≤ 10μM
PDE6D-1-E	Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.45	Binding ≤ 10μM
Q864F1-1-E	Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	900	0.42	Binding ≤ 10μM
Q9EPR9-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	9400	0.35	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 1), Eukaryotic	Eukaryotes	9000	0.35	Functional ≤ 10μM
Z50590-1-O	Sus Scrofa (cluster #1 Of 1), Other	Other	4750	0.37	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	9000	0.35	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)	2.59	2.82	-126.49	0	7	-2	98	269.264	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.59	2.52	-46.12	1	7	-1	100	270.272	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.59	2.48	-50.96	1	7	-1	100	270.272	4	↓ MOL2 SDF SMILES Flexibase

29488267

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Tractus
- TRA0023846

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE1B-1-E	Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	860	0.39	Binding ≤ 10μM
PDE1C-1-E	Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic	Eukaryotes	860	0.39	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic	Eukaryotes	82	0.45	Binding ≤ 10μM
Q9EPR9-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	860	0.39	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)	3.72	4.08	-51.84	1	6	-1	87	297.338	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.26	5.7	-9.97	2	6	0	84	298.346	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.26	6.08	-14.02	2	6	0	84	298.346	5	↓ MOL2 SDF SMILES Flexibase

21981375

Analogs

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE1B-1-E	Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	460	0.25	Binding ≤ 10μM
PDE1C-1-E	Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic	Eukaryotes	460	0.25	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic	Eukaryotes	19	0.31	Binding ≤ 10μM
Q9EPR9-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	460	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)	1.88	1.91	-17.31	2	11	0	134	504.613	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.34	0.36	-56.53	1	11	-1	137	503.605	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.88	1.66	-22.13	2	11	0	134	504.613	9	↓ MOL2 SDF SMILES Flexibase

8855176

Analogs

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Vendors

And 10 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE1A-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	790	0.37	Binding ≤ 10μM
PDE1B-1-E	Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	790	0.37	Binding ≤ 10μM
PDE1C-1-E	Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic	Eukaryotes	790	0.37	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic	Eukaryotes	40	0.45	Binding ≤ 10μM
Q9EPR9-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	790	0.37	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)	3.33	6.99	-10.77	1	6	0	73	312.373	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.79	5.44	-53.1	0	6	-1	76	311.365	5	↓ MOL2 SDF SMILES Flexibase

21981371

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Molcan
- sildenafil-desmethyl

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE1B-1-E	Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	390	0.28	Binding ≤ 10μM
PDE1C-1-E	Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic	Eukaryotes	390	0.28	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.36	Binding ≤ 10μM
Q9EPR9-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	390	0.28	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

Parameters Provided:

target.name = Q9EPR9-1-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 'Q9EPR9-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Q9EPR9-1-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": "Q9EPR9-1-E",        
        "target.type": "B10"        

    });
</script>