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

26843314

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-153010

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 3), Eukaryotic	Eukaryotes	62	0.53	Binding ≤ 10μM
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 1), Eukaryotic	Eukaryotes	215	0.49	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)	2.43	9.45	-7.77	0	5	0	55	266.341	1	↓ MOL2 SDF SMILES Flexibase

26842207

Analogs

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Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-290891

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 3), Eukaryotic	Eukaryotes	314	0.48	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)	0.91	8.28	-45.26	1	6	1	60	268.337	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.91	5.89	-7.35	0	6	0	59	267.329	1	↓ MOL2 SDF SMILES Flexibase

26941115

Analogs

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Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-184092

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 3), Eukaryotic	Eukaryotes	180	0.47	Binding ≤ 10μM
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 1), Eukaryotic	Eukaryotes	800	0.43	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)	1.16	5.55	-11.04	1	6	0	76	282.34	2	↓ MOL2 SDF SMILES Flexibase

26941126

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-184092

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 3), Eukaryotic	Eukaryotes	180	0.47	Binding ≤ 10μM
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 1), Eukaryotic	Eukaryotes	800	0.43	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)	1.16	5.59	-11.1	1	6	0	76	282.34	2	↓ MOL2 SDF SMILES Flexibase

26937509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-194030

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.50	Binding ≤ 10μM
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 1), Eukaryotic	Eukaryotes	49	0.44	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)	2.03	9.88	-11.87	0	7	0	82	324.377	4	↓ MOL2 SDF SMILES Flexibase

26937514

Analogs

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Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-194087

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 3), Eukaryotic	Eukaryotes	166	0.50	Binding ≤ 10μM
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 1), Eukaryotic	Eukaryotes	450	0.47	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)	0.05	4.96	-10.43	1	6	0	76	268.313	1	↓ MOL2 SDF SMILES Flexibase

1720410

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

NCI Plated 2007
- 133699

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LIPS-1-E	Hormone Sensitive Lipase (cluster #1 Of 3), Eukaryotic	Eukaryotes	5000	0.31	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)	1.95	2.84	-12.58	1	8	0	99	328.328	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = LIPS-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 'LIPS-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=LIPS-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": "LIPS-1-E",        
        "target.type": "B10"        

    });
</script>