ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Q4U254-1-V	Human Rhinovirus A Protease (cluster #1 Of 3), Viral	Viruses	23	0.25	Binding ≤ 10μM
Q4U254-1-V	Human Rhinovirus A Protease (cluster #1 Of 1), Viral	Viruses	5	0.27	Functional ≤ 10μM
Z101846-2-O	Human Echovirus 6 (cluster #2 Of 2), Other	Other	43	0.24	Functional ≤ 10μM
Z102516-1-O	Human Rhinovirus Strain Hanks (cluster #1 Of 1), Other	Other	51	0.24	Functional ≤ 10μM
Z50132-1-O	Human Rhinovirus 39 (cluster #1 Of 1), Other	Other	94	0.23	Functional ≤ 10μM
Z50615-2-O	Human Echovirus 9 (cluster #2 Of 2), Other	Other	15	0.25	Functional ≤ 10μM
Z50665-1-O	Enterovirus (cluster #1 Of 1), Other	Other	982	0.20	Functional ≤ 10μM
Z50674-1-O	Human Rhinovirus 2 (cluster #1 Of 1), Other	Other	67	0.23	Functional ≤ 10μM
Z50679-2-O	Human Rhinovirus 14 (cluster #2 Of 2), Other	Other	96	0.23	Functional ≤ 10μM
Z81247-1-O	HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other	Other	5	0.27	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)	2.69	0.54	-19.2	3	11	0	156	598.672	16	↓ MOL2 SDF SMILES Flexibase

842889

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Scientific Exchange (make on demand)
- R-051840
Ambinter
- Amb6875525

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z101913-1-O	Modoc Virus (cluster #1 Of 1), Other	Other	50	0.31	Functional ≤ 10μM
Z102079-1-O	Simian Virus 40 (cluster #1 Of 1), Other	Other	1000	0.25	Functional ≤ 10μM
Z50515-1-O	Human Herpesvirus 2 (cluster #1 Of 2), Other	Other	170	0.29	Functional ≤ 10μM
Z50600-1-O	Vaccinia Virus (cluster #1 Of 2), Other	Other	200	0.28	Functional ≤ 10μM
Z50645-1-O	Murine Hepatitis Virus (cluster #1 Of 1), Other	Other	20	0.33	Functional ≤ 10μM
Z50651-1-O	Vesicular Stomatitis Virus (cluster #1 Of 2), Other	Other	1000	0.25	Functional ≤ 10μM
Z50665-1-O	Enterovirus (cluster #1 Of 1), Other	Other	160	0.29	Functional ≤ 10μM
Z50795-1-O	San Angelo Virus (cluster #1 Of 1), Other	Other	200	0.28	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)	6.46	11.57	-17.57	3	6	0	87	444.579	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.46	12	-36.98	4	6	1	88	445.587	5	↓ MOL2 SDF SMILES Flexibase

1537619

Analogs

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Popular Name: Pleconaril Pleconaril

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Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Q4U254-1-V	Human Rhinovirus A Protease (cluster #1 Of 3), Viral	Viruses	58	0.38	Binding ≤ 10μM
Z50665-1-O	Enterovirus (cluster #1 Of 1), Other	Other	136	0.36	Functional ≤ 10μM
Z50674-1-O	Human Rhinovirus 2 (cluster #1 Of 1), Other	Other	40	0.38	Functional ≤ 10μM
Z50692-1-O	Human Rhinovirus 16 (cluster #1 Of 1), Other	Other	570	0.32	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)	4.77	4	-8.3	0	6	0	74	381.354	7	↓ MOL2 SDF SMILES Flexibase

538202

Analogs

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Popular Name: Pirodavir Pirodavir

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Q4U254-1-V	Human Rhinovirus A Protease (cluster #1 Of 3), Viral	Viruses	440	0.33	Binding ≤ 10μM
Z50665-1-O	Enterovirus (cluster #1 Of 1), Other	Other	31	0.39	Functional ≤ 10μM
Z81247-1-O	HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other	Other	20	0.40	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)	4.14	0.55	-13.43	0	6	0	64	369.465	8	↓ MOL2 SDF SMILES Flexibase

20027321

Analogs

8435439
8435440

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Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50665-1-O	Enterovirus (cluster #1 Of 1), Other	Other	1970	0.23	Functional ≤ 10μM
Z50666-1-O	Coxsackievirus (cluster #1 Of 1), Other	Other	260	0.26	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)	5.33	14.9	-9.94	0	6	0	50	481.003	5	↓ MOL2 SDF SMILES Flexibase

20027322

Analogs

8435439
8435440

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Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50665-1-O	Enterovirus (cluster #1 Of 1), Other	Other	1970	0.23	Functional ≤ 10μM
Z50666-1-O	Coxsackievirus (cluster #1 Of 1), Other	Other	260	0.26	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)	5.33	14.88	-9.89	0	6	0	50	481.003	5	↓ MOL2 SDF SMILES Flexibase

19535224

Analogs

726746

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Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50665-1-O	Enterovirus (cluster #1 Of 1), Other	Other	520	0.26	Functional ≤ 10μM
Z50666-1-O	Coxsackievirus (cluster #1 Of 1), Other	Other	940	0.25	Functional ≤ 10μM
Z50731-1-O	Echovirus (cluster #1 Of 1), Other	Other	300	0.27	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)	4.66	14.62	-9.49	0	6	0	50	446.558	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = Z50665
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 'Z50665' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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