ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Q25615-1-E	Chitinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	468	0.30	Binding ≤ 10μM
KINA-1-B	Sporulation Kinase A (cluster #1 Of 1), Bacterial	Bacteria	3800	0.25	Functional ≤ 10μM
SP0F-1-B	Sporulation Initiation Phosphotransferase F (cluster #1 Of 1), Bacterial	Bacteria	3800	0.25	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)	8.19	-0.06	-10.14	2	4	0	73	663.08	4	↓ MOL2 SDF SMILES Flexibase

11678567

Analogs

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Popular Name: Closantel Closantel

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Q25615-1-E	Chitinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	468	0.30	Binding ≤ 10μM
KINA-1-B	Sporulation Kinase A (cluster #1 Of 1), Bacterial	Bacteria	3800	0.25	Functional ≤ 10μM
SP0F-1-B	Sporulation Initiation Phosphotransferase F (cluster #1 Of 1), Bacterial	Bacteria	3800	0.25	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)	8.17	-0.07	-10.53	2	4	0	73	663.08	4	↓ MOL2 SDF SMILES Flexibase

4014104

Analogs

4014102

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Vendors

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Q25615-1-E	Chitinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	5800	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)	5.86	-2.54	-7.24	2	3	0	49	499.473	2	↓ MOL2 SDF SMILES Flexibase

4014108

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Q25615-1-E	Chitinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	1700	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)	5.63	-2.08	-7.52	2	3	0	49	479.055	2	↓ MOL2 SDF SMILES Flexibase

4014016

Analogs

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Vendors

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Q25615-1-E	Chitinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	8700	0.35	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)	5.24	-2.38	-8.97	2	4	0	58	495.054	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Q25615-1-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 'Q25615-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Q25615-1-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": "Q25615-1-E",        
        "target.type": "B10"        

    });
</script>