ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AMPB-1-E	Aminopeptidase B (cluster #1 Of 2), Eukaryotic	Eukaryotes	7	0.54	Binding ≤ 10μM
AMPE-2-E	Aminopeptidase A (cluster #2 Of 2), Eukaryotic	Eukaryotes	380	0.43	Binding ≤ 10μM
AMPN-2-E	Aminopeptidase N (cluster #2 Of 5), Eukaryotic	Eukaryotes	7	0.54	Binding ≤ 10μM
AMPN-2-E	Aminopeptidase N (cluster #2 Of 5), Eukaryotic	Eukaryotes	380	0.43	Binding ≤ 10μM
DPP2-2-E	Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic	Eukaryotes	1	0.60	Binding ≤ 10μM
DPP3-1-E	Dipeptidyl Peptidase III (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.60	Binding ≤ 10μM
DPP3-1-E	Dipeptidyl Peptidase III (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.58	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	1	0.60	Binding ≤ 10μM
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	2	0.58	Binding ≤ 10μM
DPP6-1-E	Dipeptidyl Peptidase VI (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.60	Binding ≤ 10μM
ECE1-1-E	Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.54	Binding ≤ 10μM
LKHA4-1-E	Leukotriene A4 Hydrolase (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	0.55	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	2	0.58	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	8	0.54	Binding ≤ 10μM
THER-1-B	Thermolysin (cluster #1 Of 3), Bacterial	Bacteria	3	0.57	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)	-1.23	3.01	-61.22	3	7	-1	119	293.299	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.23	4.26	-116.92	2	7	-2	121	292.291	7	↓ MOL2 SDF SMILES Flexibase

3809801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Omapatrilat Omapatrilat

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Vendors

American Custom Chemicals Corp.
- API0009247
BOC Sciences BB
- 167305-00-2

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	6	0.43	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	9	0.42	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)	0.18	-3.2	-61.08	1	6	-1	89	407.537	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.18	-4.16	-118.31	1	6	-2	89	406.529	5	↓ MOL2 SDF SMILES Flexibase

3872336

Analogs

44808929
44808930
44810630
44810632
44813367

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Popular Name: THIORPHAN THIORPHAN

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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	420	0.53	Binding ≤ 10μM
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	860	0.50	Binding ≤ 10μM
ACE2-1-E	Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	420	0.53	Binding ≤ 10μM
ECE1-1-E	Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.67	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	2	0.72	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	6	0.68	Binding ≤ 10μM
NEP-1-E	Neprilysin (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.72	Functional ≤ 10μM
THER-1-B	Thermolysin (cluster #1 Of 3), Bacterial	Bacteria	1800	0.47	Binding ≤ 10μM
THER-1-B	Thermolysin (cluster #1 Of 3), Bacterial	Bacteria	9500	0.41	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)	0.25	5.62	-41.1	1	4	-1	69	252.315	6	↓ MOL2 SDF SMILES Flexibase

3774999

Analogs

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Popular Name: Candoxatril Candoxatril

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	65	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)	3.58	0.64	-66.62	1	8	-1	113	514.639	13	↓ MOL2 SDF SMILES Flexibase

3775000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: candoxatrilat candoxatrilat

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Vendors

American Custom Chemicals Corp.
- API0010928

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	8	0.40	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)	1.45	-1.01	-107.5	1	8	-2	127	397.468	11	↓ MOL2 SDF SMILES Flexibase

26670129

Analogs

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Popular Name: phosphoramidon phosphoramidon

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ECE1-1-E	Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	800	0.23	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	6	0.31	Binding ≤ 10μM
THER-1-B	Thermolysin (cluster #1 Of 3), Bacterial	Bacteria	33	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
Ref Reference (pH 7)	-1.56	-1.57	-111.49	6	13	-2	220	541.494	11	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.56	-0.31	-60.51	7	13	-1	221	542.502	11	↓ MOL2 SDF SMILES Flexibase

3872335

Analogs

44808929
44808930
44810630
44810632
44813367

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Popular Name: Thiorphan Thiorphan

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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	130	0.57	Binding ≤ 10μM
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	420	0.53	Binding ≤ 10μM
ACE2-1-E	Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	420	0.53	Binding ≤ 10μM
ECE1-1-E	Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.67	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	2	0.72	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	6	0.68	Binding ≤ 10μM
NEP-1-E	Neprilysin (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.72	Functional ≤ 10μM
THER-1-B	Thermolysin (cluster #1 Of 3), Bacterial	Bacteria	9500	0.41	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)	0.25	5.89	-43.08	1	4	-1	69	252.315	6	↓ MOL2 SDF SMILES Flexibase

3979014

Analogs

3871393
3871392

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Popular Name: ACTINONIN ACTINONIN

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DEF-1-B	Peptide Deformylase (cluster #1 Of 1), Bacterial	Bacteria	5	0.43	Binding ≤ 10μM
Q9JN24-1-B	Peptide Deformylase (cluster #1 Of 1), Bacterial	Bacteria	140	0.36	Binding ≤ 10μM
DEF1A-1-E	Peptide Deformylase 1A, Chloroplastic (cluster #1 Of 1), Eukaryotic	Eukaryotes	27	0.39	Binding ≤ 10μM
DEFM-1-E	Peptide Deformylase Mitochondrial (cluster #1 Of 2), Eukaryotic	Eukaryotes	600	0.32	Binding ≤ 10μM
ECE1-1-E	Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4000	0.28	Binding ≤ 10μM
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	300	0.34	Binding ≤ 10μM
MMP1-2-E	Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1100	0.31	Binding ≤ 10μM
MMP2-1-E	72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic	Eukaryotes	3000	0.29	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1700	0.30	Binding ≤ 10μM
MMP3-1-E	Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	6000	0.27	Binding ≤ 10μM
MMP8-1-E	Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic	Eukaryotes	190	0.35	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	330	0.34	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	8200	0.26	Binding ≤ 10μM
Z50425-6-O	Plasmodium Falciparum (cluster #6 Of 22), Other	Other	2512	0.29	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)	1.51	2.32	-16.44	4	8	0	119	385.505	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.51	3.4	-55.95	3	8	-1	122	384.497	11	↓ MOL2 SDF SMILES Flexibase

2391109

Analogs

4899476

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	700	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)	0.27	0.1	-123.46	1	6	-2	109	305.33	8	↓ MOL2 SDF SMILES Flexibase

4899476

Analogs

2391109

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	700	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)	0.27	0.54	-106.5	1	6	-2	109	305.33	8	↓ MOL2 SDF SMILES Flexibase

1605729

Analogs

44625037
44625040
44625115
44625118

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Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

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Vendors

And 11 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	1000	0.49	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)	-1.79	-3.43	-60.11	4	5	0	96	236.271	5	↓ MOL2 SDF SMILES Flexibase

1605730

Analogs

44625037
44625040
44625115
44625118

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Popular Name:

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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
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	1000	0.49	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)	-1.79	-3.43	-60.89	4	5	0	96	236.271	5	↓ MOL2 SDF SMILES Flexibase

1605731

Analogs

44625037
44625040
44625115
44625118

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Popular Name:

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Vendors

And 15 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	1000	0.49	Binding ≤ 10μM
S15A1-1-E	Oligopeptide Transporter Small Intestine Isoform (cluster #1 Of 1), Eukaryotic	Eukaryotes	180	0.56	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)	-1.79	-3.43	-60.91	4	5	0	96	236.271	5	↓ MOL2 SDF SMILES Flexibase

1605732

Analogs

44625037
44625040
44625115
44625118

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Popular Name:

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Vendors

And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	1000	0.49	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)	-1.79	-3.46	-60.18	4	5	0	96	236.271	5	↓ MOL2 SDF SMILES Flexibase

3820336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: USAN) USAN)

Find On: PubMed — Wikipedia — Google

Vendors

American Custom Chemicals Corp.
- API0009520

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	12	0.43	Binding ≤ 10μM
ACE-1-E	Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic	Eukaryotes	12	0.43	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	63	0.39	Binding ≤ 10μM
NEP-2-E	Neprilysin (cluster #2 Of 2), Eukaryotic	Eukaryotes	63	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)	0.92	-1.08	-67.14	1	6	-1	89	377.486	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.92	-2.03	-116.66	1	6	-2	89	376.478	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

Permalink

//zinc12.docking.org/results/combination?target.name=NEP-2-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": "NEP-2-E",        
        "target.type": "B10"        

    });
</script>