UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36175852
36175852
8674160
8674160
8143882
8143882

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Popular Name: cantharidin cantharidin

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
2A5A-1-E Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.62 Binding ≤ 10μM
2AAA-1-E Serine/threonine Protein Phosphatase 2A, 65 KDa Regulatory Subunit A, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.51 Binding ≤ 10μM
2ABG-1-E Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.62 Binding ≤ 10μM
PP1A-1-E Serine/threonine Protein Phosphatase PP1-alpha Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.63 Binding ≤ 10μM
PP1G-1-E Serine/threonine Protein Phosphatase PP1-gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.63 Binding ≤ 10μM
PP2AA-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.62 Binding ≤ 10μM
PP2AB-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 65 0.72 Binding ≤ 10μM
PPM1B-1-E Protein Phosphatase 2C Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 430 0.64 Binding ≤ 10μM
PPM1J-1-E Protein Phosphatase 2A Catalytic Subunit Zeta (cluster #1 Of 1), Eukaryotic Eukaryotes 65 0.72 Binding ≤ 10μM
PTN1-3-E Protein-tyrosine Phosphatase 1B (cluster #3 Of 4), Eukaryotic Eukaryotes 3600 0.54 Binding ≤ 10μM
PTPA-1-E Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.62 Binding ≤ 10μM
Q8AWE3-1-E Serine-threonine Protein Phosphatase 2A Regulatory Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 360 0.64 Binding ≤ 10μM
Z50425-1-O Plasmodium Falciparum (cluster #1 Of 22), Other Other 9000 0.50 Functional ≤ 10μM
Z80001-2-O 143B (cluster #2 Of 2), Other Other 10000 0.50 Functional ≤ 10μM
Z80166-2-O HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other Other 6400 0.52 Functional ≤ 10μM
Z80928-4-O HCT-116 (Colon Carcinoma Cells) (cluster #4 Of 9), Other Other 9000 0.50 Functional ≤ 10μM
Z81034-2-O A2780 (Ovarian Carcinoma Cells) (cluster #2 Of 10), Other Other 10000 0.50 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) 1.37 4.64 -10.95 0 4 0 53 196.202 0 ↓

Analogs

36175852
36175852
8674160
8674160
8143882
8143882

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A43076080-001-03-3 BRD-A43076080-001-03-3

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
2AAA-1-E Serine/threonine Protein Phosphatase 2A, 65 KDa Regulatory Subunit A, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.51 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) 1.37 4.02 -6.92 0 4 0 53 196.202 0 ↓

Parameters Provided:

annotation.name = 2AAA_MOUSE
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 '2AAA\\_MOUSE' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=2AAA_MOUSE&filter.purchasability=purchasable

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