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

17130448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: USAN) USAN)

Find On: PubMed — Wikipedia — Google

Vendors

American Custom Chemicals Corp.
- API0012798
Tractus
- TRA0081585

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50078-1-O	Human Rhinovirus 45 (cluster #1 Of 1), Other	Other	250	0.37	Functional ≤ 10μM
Z50085-1-O	Human Rhinovirus Sp. (cluster #1 Of 1), Other	Other	40	0.41	Functional ≤ 10μM
Z50088-1-O	Human Rhinovirus 9 (cluster #1 Of 1), Other	Other	38	0.42	Functional ≤ 10μM
Z50091-1-O	Human Rhinovirus 41 (cluster #1 Of 1), Other	Other	27	0.42	Functional ≤ 10μM
Z50093-1-O	Human Rhinovirus 63 (cluster #1 Of 1), Other	Other	27	0.42	Functional ≤ 10μM
Z50094-1-O	Human Rhinovirus 70 (cluster #1 Of 1), Other	Other	110	0.39	Functional ≤ 10μM
Z50095-1-O	Human Rhinovirus 86 (cluster #1 Of 1), Other	Other	140	0.38	Functional ≤ 10μM
Z50130-1-O	Human Rhinovirus 15 (cluster #1 Of 1), Other	Other	42	0.41	Functional ≤ 10μM
Z50132-1-O	Human Rhinovirus 39 (cluster #1 Of 1), Other	Other	28	0.42	Functional ≤ 10μM
Z50135-1-O	Human Rhinovirus 85 (cluster #1 Of 1), Other	Other	33	0.42	Functional ≤ 10μM
Z50617-1-O	Human Coxsackievirus B3 (cluster #1 Of 2), Other	Other	700	0.34	Functional ≤ 10μM
Z50620-1-O	Human Poliovirus 3 (cluster #1 Of 1), Other	Other	40	0.41	Functional ≤ 10μM
Z50622-1-O	Human Rhinovirus 1B (cluster #1 Of 2), Other	Other	40	0.41	Functional ≤ 10μM
Z50670-1-O	Human Poliovirus 2 (cluster #1 Of 1), Other	Other	60	0.40	Functional ≤ 10μM
Z50674-1-O	Human Rhinovirus 2 (cluster #1 Of 1), Other	Other	26	0.42	Functional ≤ 10μM
Z50675-1-O	Human Rhinovirus 89 (cluster #1 Of 1), Other	Other	100	0.39	Functional ≤ 10μM
Z50679-2-O	Human Rhinovirus 14 (cluster #2 Of 2), Other	Other	110	0.39	Functional ≤ 10μM
Z50792-1-O	Human Rhinovirus 29 (cluster #1 Of 1), Other	Other	29	0.42	Functional ≤ 10μM
Z50793-1-O	Human Rhinovirus 72 (cluster #1 Of 1), Other	Other	720	0.34	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)	2.57	5.22	-13.89	3	7	0	111	358.423	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.57	5.22	-14.35	3	7	0	111	358.423	4	↓ MOL2 SDF SMILES Flexibase

1537619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Pleconaril Pleconaril

Find On: PubMed — Wikipedia — Google

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

5160552

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50129-1-O	Human Rhinovirus 4 (cluster #1 Of 1), Other	Other	6400	0.29	Functional ≤ 10μM
Z50622-1-O	Human Rhinovirus 1B (cluster #1 Of 2), Other	Other	1000	0.34	Functional ≤ 10μM
Z50674-1-O	Human Rhinovirus 2 (cluster #1 Of 1), Other	Other	3900	0.30	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)	5.85	-0.04	-11.66	1	5	0	55	349.825	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = Z50674
anotation.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 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 'Z50674' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=Z50674&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', {
        "annotation.name": "Z50674"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Vendors

Toronto Research Chemicals

Activity (Go SEA)

Physical Representations

Analogs

Vendors

American Custom Chemicals Corp.

Tractus

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Amadis Chemical

BePharm Building Blocks

BOC Sciences BB

Chembo Pharma

Element Store BB

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Chembo Pharma

Tetrahedron Building Blocks

Activity (Go SEA)

Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results