UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: U0126 U0126

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MP2K1-2-E Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 72 0.38 Binding ≤ 10μM
MP2K1-2-E Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 2600 0.30 Binding ≤ 10μM
MP2K2-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.39 Binding ≤ 10μM
MP2K1-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.34 Functional ≤ 10μM
MP2K2-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.34 Functional ≤ 10μM
RAF1-1-E Serine/threonine-protein Kinase RAF (cluster #1 Of 2), Eukaryotic Eukaryotes 290 0.35 Functional ≤ 10μM
Z50425-2-O Plasmodium Falciparum (cluster #2 Of 22), Other Other 3981 0.29 Functional ≤ 10μM
Z50531-1-O Caenorhabditis Elegans (cluster #1 Of 3), Other Other 2000 0.31 Functional ≤ 10μM
Z80107-1-O COS-7 (Kidney Cells) (cluster #1 Of 2), Other Other 1000 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 4.47 -13.78 8 6 0 152 380.502 5 ↓
Ref Reference (pH 7) 2.04 3.6 -6.97 8 6 0 152 380.502 5 ↓

Parameters Provided:

target.name = MP2K1-2-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 'MP2K1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=MP2K1-2-E&target.type=B10&filter.purchasability=purchasable

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