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
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MP2K1_HUMAN Q02750 Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human 500 0.34 Binding ≤ 1μM
MP2K2_HUMAN P36507 Dual Specificity Mitogen-activated Protein Kinase Kinase 2, Human 58 0.39 Binding ≤ 1μM
MP2K1_HUMAN Q02750 Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human 500 0.34 Binding ≤ 10μM
MP2K2_HUMAN P36507 Dual Specificity Mitogen-activated Protein Kinase Kinase 2, Human 58 0.39 Binding ≤ 10μM
Z50531 Z50531 Caenorhabditis Elegans 2000 0.31 Functional ≤ 10μM
Z80107 Z80107 COS-7 (Kidney Cells) 1000 0.32 Functional ≤ 10μM
MP2K1_HUMAN Q02750 Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human 1000 0.32 Functional ≤ 10μM
MP2K2_HUMAN P36507 Dual Specificity Mitogen-activated Protein Kinase Kinase 2, Human 1000 0.32 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 3162.27766 0.30 Functional ≤ 10μM
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 290 0.35 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:

ring.id = 233528
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 233528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=233528&filter.purchasability=annotated

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