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Analogs

2369677
2369677

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Popular Name: 2-aminophenanthrene-9,10-dione 2-aminophenanthrene-9,10-dione

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATL1-5-E Cathepsin L (cluster #5 Of 5), Eukaryotic Eukaryotes 600 0.51 Binding ≤ 10μM
CATS-2-E Cathepsin S (cluster #2 Of 2), Eukaryotic Eukaryotes 6000 0.43 Binding ≤ 10μM
PTN13-1-E Protein-tyrosine Phosphatase 1E (cluster #1 Of 1), Eukaryotic Eukaryotes 4700 0.44 Binding ≤ 10μM
PTPRC-3-E Leukocyte Common Antigen (cluster #3 Of 3), Eukaryotic Eukaryotes 400 0.53 Binding ≤ 10μM
Z81338-1-O T-cells (cluster #1 Of 3), Other Other 200 0.55 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 5.46 -11.78 2 3 0 60 223.231 0 ↓

Analogs

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Popular Name: N/A N/A

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATL1-5-E Cathepsin L (cluster #5 Of 5), Eukaryotic Eukaryotes 500 0.38 Binding ≤ 10μM
CATS-2-E Cathepsin S (cluster #2 Of 2), Eukaryotic Eukaryotes 400 0.39 Binding ≤ 10μM
LCK-1-E Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic Eukaryotes 3800 0.33 Binding ≤ 10μM
PTN13-1-E Protein-tyrosine Phosphatase 1E (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.31 Binding ≤ 10μM
PTPRC-3-E Leukocyte Common Antigen (cluster #3 Of 3), Eukaryotic Eukaryotes 3800 0.33 Binding ≤ 10μM
Z81338-1-O T-cells (cluster #1 Of 3), Other Other 100 0.43 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 8.51 -21.23 1 4 0 63 307.349 2 ↓

Parameters Provided:

annotation.name = PTN13_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 'PTN13\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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