UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19899038
19899038
19899039
19899039
33805532
33805532
33805533
33805533

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-Dibromo-L-tyrosine 3,5-Dibromo-L-tyrosine

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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 (Ų) 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 ↓

Analogs

19899038
19899038
19899039
19899039
33805532
33805532
33805533
33805533

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-Dibromotyrosine 3,5-Dibromotyrosine

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 (Ų) 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 ↓

Parameters Provided:

target.name = PTPRA-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 'PTPRA-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=PTPRA-1-E&target.type=B10&filter.purchasability=purchasable

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