ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50517-1-O	Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other	Other	5000	0.44	Functional ≤ 10μM
Z50530-3-O	Human Herpesvirus 5 (cluster #3 Of 5), Other	Other	3500	0.45	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)	1.90	1.8	-10.22	2	4	0	59	274.151	2	↓ MOL2 SDF SMILES Flexibase

8729711

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50530-3-O	Human Herpesvirus 5 (cluster #3 Of 5), Other	Other	6000	0.56	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)	2.36	4.16	-28.1	0	5	-1	73	196.573	1	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.36	4.61	-6.22	1	5	0	75	197.581	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.36	4.17	-28.26	0	5	-1	73	196.573	1	↓ MOL2 SDF SMILES Flexibase

6524602

Analogs

8730153

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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
Z50530-3-O	Human Herpesvirus 5 (cluster #3 Of 5), Other	Other	8500	0.59	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)	3.95	-2.6	-4.63	1	2	0	28	310.376	0	↓ MOL2 SDF SMILES Flexibase

1648702

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50530-3-O	Human Herpesvirus 5 (cluster #3 Of 5), Other	Other	4700	0.44	Functional ≤ 10μM
Z80942-1-O	HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other	Other	4700	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)	4.24	-2.53	-5.26	3	4	0	63	289.553	2	↓ MOL2 SDF SMILES Flexibase

1675992

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PRIM-1-V	DNA Helicase/primase Complex Protein (cluster #1 Of 1), Viral	Viruses	8700	0.42	Binding ≤ 10μM
Z50530-3-O	Human Herpesvirus 5 (cluster #3 Of 5), Other	Other	9100	0.42	Functional ≤ 10μM
Z80942-1-O	HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other	Other	9100	0.42	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)	4.24	-3.21	-5.93	3	4	0	63	289.553	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Z50530-3-O
target.type = F10
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 'Z50530-3-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z50530-3-O&target.type=F10&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": "Z50530-3-O",        
        "target.type": "F10"        

    });
</script>