UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8195647
8195647
8195649
8195649

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Popular Name: Sphingosine Sphingosine

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And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAPCA-4-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #4 Of 4), Eukaryotic Eukaryotes 98 0.47 Binding ≤ 10μM
KPCA-3-E Protein Kinase C Alpha (cluster #3 Of 6), Eukaryotic Eukaryotes 6700 0.34 Binding ≤ 10μM
KPCB-4-E Protein Kinase C Beta (cluster #4 Of 4), Eukaryotic Eukaryotes 6700 0.34 Binding ≤ 10μM
KPCD-2-E Protein Kinase C Delta (cluster #2 Of 4), Eukaryotic Eukaryotes 6700 0.34 Binding ≤ 10μM
KPCE-2-E Protein Kinase C Epsilon (cluster #2 Of 5), Eukaryotic Eukaryotes 6700 0.34 Binding ≤ 10μM
KPCG-3-E Protein Kinase C Gamma (cluster #3 Of 4), Eukaryotic Eukaryotes 6700 0.34 Binding ≤ 10μM
KPCL-1-E Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic Eukaryotes 6700 0.34 Binding ≤ 10μM
KPCT-2-E Protein Kinase C Theta (cluster #2 Of 3), Eukaryotic Eukaryotes 6700 0.34 Binding ≤ 10μM
SPHK1-2-E Sphingosine Kinase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3860 0.36 Binding ≤ 10μM
SPHK2-2-E Sphingosine Kinase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1560 0.39 Binding ≤ 10μM
Z50588-7-O Canis Familiaris (cluster #7 Of 7), Other Other 4200 0.36 Functional ≤ 10μM
Z81072-3-O Jurkat (Acute Leukemic T-cells) (cluster #3 Of 10), Other Other 2010 0.38 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) 5.15 -4.7 -40.68 5 3 1 68 300.507 15 ↓

Analogs

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Popular Name: Prostratin Prostratin

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-3-E Protein Kinase C Alpha (cluster #3 Of 6), Eukaryotic Eukaryotes 13 0.39 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 13 0.39 Binding ≤ 10μM
KPCD-2-E Protein Kinase C Delta (cluster #2 Of 4), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
KPCD1-3-E Protein Kinase C Mu (cluster #3 Of 3), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
KPCD3-3-E Protein Kinase C Nu (cluster #3 Of 3), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
KPCE-2-E Protein Kinase C Epsilon (cluster #2 Of 5), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 13 0.39 Binding ≤ 10μM
KPCL-1-E Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
KPCT-2-E Protein Kinase C Theta (cluster #2 Of 3), Eukaryotic Eukaryotes 210 0.33 Binding ≤ 10μM
Z50607-8-O Human Immunodeficiency Virus 1 (cluster #8 Of 10), Other Other 132 0.34 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) 2.14 -2.06 -11.69 3 6 0 104 390.476 3 ↓

Analogs

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Popular Name: Ingenol Ingenol

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-3-E Protein Kinase C Alpha (cluster #3 Of 6), Eukaryotic Eukaryotes 240 0.37 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) 1.22 -0.43 -13.12 4 5 0 98 348.439 1 ↓

Parameters Provided:

target.name = KPCA-3-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 'KPCA-3-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=KPCA-3-E&target.type=B10&filter.purchasability=purchasable

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