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

57299

Analogs

19899038
19899039
33805532
33805533

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 29 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTPRA-1-E	Receptor-type Tyrosine-protein Phosphatase Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	4600	0.50	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)	0.02	2.5	-36.76	4	4	0	88	338.983	3	↓ MOL2 SDF SMILES Flexibase

57300

Analogs

19899038
19899039
33805532
33805533

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 21 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTPRA-1-E	Receptor-type Tyrosine-protein Phosphatase Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	4600	0.50	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)	0.02	-5.14	-40.33	4	4	0	87	338.983	3	↓ MOL2 SDF SMILES Flexibase

3954010

Analogs

4261842
4803994

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

NCI Plated 2007
- 45576

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTPRA-2-E	Receptor-type Tyrosine-protein Phosphatase Alpha (cluster #2 Of 2), Eukaryotic	Eukaryotes	8100	0.26	Binding ≤ 10μM
PTPRB-1-E	Receptor-type Tyrosine-protein Phosphatase Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	3900	0.28	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)	3.15	-6.51	-52.22	1	6	-1	102	377.401	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = PTPRA_HUMAN
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 'PTPRA\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=PTPRA_HUMAN&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": "PTPRA_HUMAN"        

    });
</script>

ZINC 12

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Molport

Aldrich CPR

Alinda Building Blocks

American Custom Chemicals Corp.

Anward

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Molport

Alinda Building Blocks

American Custom Chemicals Corp.

Apexmol Building Blocks

Activity (Go SEA)

Physical Representations

Analogs

Vendors

NCI Plated 2007

Activity (Go SEA)

Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results