UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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

30731360
30731360
40164684
40164684
40164738
40164738
40164743
40164743
40164936
40164936

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Popular Name: 1,2-Dioctanoyl-sn-glycerol 1,2-Dioctanoyl-sn-glycerol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 2930 0.32 Binding ≤ 10μM
KPCL-1-E Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic Eukaryotes 15 0.46 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) 5.69 2.62 -8.77 1 5 0 72 344.492 18 ↓

Analogs

49877340
49877340

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Popular Name: DNC011488 DNC011488

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-2-E Protein Kinase C Alpha (cluster #2 Of 6), Eukaryotic Eukaryotes 1 0.35 Binding ≤ 10μM
KPCA-2-E Protein Kinase C Alpha (cluster #2 Of 6), Eukaryotic Eukaryotes 7 0.32 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 2 0.34 Binding ≤ 10μM
KPCD-2-E Protein Kinase C Delta (cluster #2 Of 4), Eukaryotic Eukaryotes 52 0.28 Binding ≤ 10μM
KPCE-2-E Protein Kinase C Epsilon (cluster #2 Of 5), Eukaryotic Eukaryotes 6 0.32 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 53 0.28 Binding ≤ 10μM
KPCL-1-E Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic Eukaryotes 4 0.33 Binding ≤ 10μM
KPCT-2-E Protein Kinase C Theta (cluster #2 Of 3), Eukaryotic Eukaryotes 3 0.33 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) 3.77 -1.28 -12.61 3 8 0 130 504.62 9 ↓

Analogs

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Popular Name: Enoxolone Enoxolone

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-2-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.34 Binding ≤ 10μM
DHI2-1-E 11-beta-hydroxysteroid Dehydrogenase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 257 0.27 Binding ≤ 10μM
KPCL-1-E Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic Eukaryotes 250 0.27 Binding ≤ 10μM
PTN11-2-E Protein-tyrosine Phosphatase 2C (cluster #2 Of 3), Eukaryotic Eukaryotes 9600 0.21 Binding ≤ 10μM
Z80418-3-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #3 Of 9), Other Other 1300 0.24 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) 5.62 11.48 -62.34 1 4 -1 77 469.686 1 ↓
Ref Reference (pH 7) 5.62 11.49 -61.44 1 4 -1 77 469.686 1 ↓
Lo Low (pH 4.5-6) 5.62 9.52 -14.08 2 4 0 75 470.694 1 ↓

Analogs

8195647
8195647
8195649
8195649

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Popular Name: Sphingosine Sphingosine

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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 ↓

Parameters Provided:

target.name = KPCL-1-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 'KPCL-1-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=KPCL-1-E&target.type=B10&filter.purchasability=purchasable

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