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

3812863

Analogs

5851734
9212370

Draw Identity 99% 90% 80% 70%

Popular Name: Lisinopril Lisinopril

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Vendors

And 29 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.43	Binding ≤ 10μM
ACE2-1-E	Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.43	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)	-2.43	9.2	-106.06	5	8	0	145	405.495	12	↓ MOL2 SDF SMILES Flexibase

12428433

Analogs

14640373
4252698

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Popular Name: Butein Butein

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Vendors

And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	730	0.43	Binding ≤ 10μM
EGFR-2-E	Epidermal Growth Factor Receptor ErbB1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	8000	0.36	Binding ≤ 10μM
LOX5-1-E	Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic	Eukaryotes	5	0.58	Binding ≤ 10μM
Q965D5-1-E	Enoyl-acyl-carrier Protein Reductase (cluster #1 Of 1), Eukaryotic	Eukaryotes	5500	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)	2.28	0.03	-14.86	4	5	0	98	272.256	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.28	0.8	-48.48	3	5	-1	101	271.248	3	↓ MOL2 SDF SMILES Flexibase

57001

Analogs

4245610
32218440
32218441
32218442
32218443

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Popular Name: Captopril Captopril

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Vendors

And 37 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	23	0.76	Binding ≤ 10μM
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
ACE2-1-E	Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.80	Binding ≤ 10μM
AMPB-1-E	Aminopeptidase B (cluster #1 Of 2), Eukaryotic	Eukaryotes	2000	0.57	Binding ≤ 10μM
AMPE-1-E	Aminopeptidase A (cluster #1 Of 2), Eukaryotic	Eukaryotes	2000	0.57	Binding ≤ 10μM
AMPN-1-E	Aminopeptidase N (cluster #1 Of 5), Eukaryotic	Eukaryotes	2000	0.57	Binding ≤ 10μM
LKHA4-2-E	Leukotriene A4 Hydrolase (cluster #2 Of 2), Eukaryotic	Eukaryotes	70	0.72	Binding ≤ 10μM
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.87	Binding ≤ 10μM
THRB-1-E	Prothrombin (cluster #1 Of 8), Eukaryotic	Eukaryotes	48	0.73	Binding ≤ 10μM
DAPE-1-B	Succinyl-diaminopimelate Desuccinylase (cluster #1 Of 1), Bacterial	Bacteria	3300	0.55	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)	-1.09	5.14	-56.41	0	4	-1	60	216.282	3	↓ MOL2 SDF SMILES Flexibase

13646338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: LS-193764 LS-193764

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	9000	0.32	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)	-2.43	4.95	-91.21	3	7	0	108	311.382	4	↓ MOL2 SDF SMILES Flexibase

26990904

Analogs

36884133
36885003

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Popular Name: DNC011845 DNC011845

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	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)	0.55	8.82	-60.67	0	7	-1	106	291.283	5	↓ MOL2 SDF SMILES Flexibase

3812851

Analogs

6491423
11679157
1532334

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Popular Name: Enalaprilat Enalaprilat

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Vendors

And 24 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.50	Binding ≤ 10μM
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.50	Binding ≤ 10μM
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.49	Binding ≤ 10μM
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.46	Binding ≤ 10μM
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
ACE2-1-E	Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
ACE2-1-E	Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.50	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)	-1.94	9.43	-69.84	2	7	-1	117	347.391	8	↓ MOL2 SDF SMILES Flexibase

2384776

Analogs

4762519
4762523
4762525
33755939

Draw Identity 99% 90% 80% 70%

Popular Name: Val-Tyr Val-Tyr

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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
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.36	Binding ≤ 10μM
S15A2-1-E	Solute Carrier Family 15 Member 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2500	0.39	ADME/T ≤ 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)	-1.49	-3.99	-70.08	5	6	0	117	280.324	6	↓ MOL2 SDF SMILES Flexibase

4899517

Analogs

5662798
5662799
40471711
1590782

Draw Identity 99% 90% 80% 70%

Popular Name: Ile-Tyr Ile-Tyr

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	3700	0.36	Binding ≤ 10μM
S15A2-1-E	Solute Carrier Family 15 Member 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8000	0.34	ADME/T ≤ 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)	-0.99	-3.83	-70.39	5	6	0	117	294.351	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = ACE_RABIT
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'ACE\\_RABIT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=ACE_RABIT&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', {
        "annotation.name": "ACE_RABIT"        

    });
</script>