UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34372551
34372551
41661539
41661539

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Popular Name: H-9 dihydrochloride H-9 dihydrochloride

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAPCA-2-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 2000 0.47 Binding ≤ 10μM
KAPCB-2-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 2000 0.47 Binding ≤ 10μM
KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 2000 0.47 Binding ≤ 10μM
KPCA-6-E Protein Kinase C Alpha (cluster #6 Of 6), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCB-3-E Protein Kinase C Beta (cluster #3 Of 4), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCD-4-E Protein Kinase C Delta (cluster #4 Of 4), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCD1-2-E Protein Kinase C Mu (cluster #2 Of 3), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCD3-2-E Protein Kinase C Nu (cluster #2 Of 3), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCE-4-E Protein Kinase C Epsilon (cluster #4 Of 5), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCG-2-E Protein Kinase C Gamma (cluster #2 Of 4), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCL-3-E Protein Kinase C Eta (cluster #3 Of 4), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCZ-4-E Protein Kinase C Zeta (cluster #4 Of 5), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
P90584-2-E Protein Kinase Pfmrk (cluster #2 Of 2), Eukaryotic Eukaryotes 700 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) -0.12 -0.55 -55.51 4 5 1 87 252.319 4 ↓
Hi High (pH 8-9.5) -0.12 -0.94 -12.15 3 5 0 85 251.311 4 ↓

Analogs

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Popular Name: DNC014869 DNC014869

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAPCA-2-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 3500 0.38 Binding ≤ 10μM
KAPCB-2-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 3500 0.38 Binding ≤ 10μM
KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 3500 0.38 Binding ≤ 10μM
KPCA-6-E Protein Kinase C Alpha (cluster #6 Of 6), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCB-3-E Protein Kinase C Beta (cluster #3 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCD-4-E Protein Kinase C Delta (cluster #4 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCD1-2-E Protein Kinase C Mu (cluster #2 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCD3-2-E Protein Kinase C Nu (cluster #2 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCE-4-E Protein Kinase C Epsilon (cluster #4 Of 5), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCG-2-E Protein Kinase C Gamma (cluster #2 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCL-3-E Protein Kinase C Eta (cluster #3 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCZ-4-E Protein Kinase C Zeta (cluster #4 Of 5), Eukaryotic Eukaryotes 6000 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

Analogs

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Popular Name: DNC014869 DNC014869

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAPCA-2-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 3000 0.39 Binding ≤ 10μM
KAPCA-2-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 3500 0.38 Binding ≤ 10μM
KAPCB-2-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 3000 0.39 Binding ≤ 10μM
KAPCB-2-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 3500 0.38 Binding ≤ 10μM
KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 3000 0.39 Binding ≤ 10μM
KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 3500 0.38 Binding ≤ 10μM
KGP1-1-E CGMP-dependent Protein Kinase 1 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 5800 0.37 Binding ≤ 10μM
KGP2-1-E CGMP-dependent Protein Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5800 0.37 Binding ≤ 10μM
KPCA-6-E Protein Kinase C Alpha (cluster #6 Of 6), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCA-6-E Protein Kinase C Alpha (cluster #6 Of 6), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCB-3-E Protein Kinase C Beta (cluster #3 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCB-3-E Protein Kinase C Beta (cluster #3 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCD-4-E Protein Kinase C Delta (cluster #4 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCD-4-E Protein Kinase C Delta (cluster #4 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCD1-2-E Protein Kinase C Mu (cluster #2 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCD1-2-E Protein Kinase C Mu (cluster #2 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCD3-2-E Protein Kinase C Nu (cluster #2 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCD3-2-E Protein Kinase C Nu (cluster #2 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCE-4-E Protein Kinase C Epsilon (cluster #4 Of 5), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCE-4-E Protein Kinase C Epsilon (cluster #4 Of 5), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCG-2-E Protein Kinase C Gamma (cluster #2 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCG-2-E Protein Kinase C Gamma (cluster #2 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCL-3-E Protein Kinase C Eta (cluster #3 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCL-3-E Protein Kinase C Eta (cluster #3 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCZ-4-E Protein Kinase C Zeta (cluster #4 Of 5), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
KPCZ-4-E Protein Kinase C Zeta (cluster #4 Of 5), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
Q95J97-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.39 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 5400 0.37 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

Analogs

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Popular Name: 3H-Indolium, 1-[2,5-dihydro-4-(1H-indol-1-yl)-2,5-dioxo-1H-pyrrol-3-yl]- 3H-Indolium, 1-[2,5-dihydro-4-(1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAPCA-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 2000 0.32 Binding ≤ 10μM
KAPCB-1-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 2000 0.32 Binding ≤ 10μM
KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 2000 0.32 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 10 0.45 Binding ≤ 10μM
KPCB-3-E Protein Kinase C Beta (cluster #3 Of 4), Eukaryotic Eukaryotes 10 0.45 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 10 0.45 Binding ≤ 10μM
KPCD1-2-E Protein Kinase C Mu (cluster #2 Of 3), Eukaryotic Eukaryotes 10 0.45 Binding ≤ 10μM
KPCD3-2-E Protein Kinase C Nu (cluster #2 Of 3), Eukaryotic Eukaryotes 10 0.45 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 10 0.45 Binding ≤ 10μM
KPCG-2-E Protein Kinase C Gamma (cluster #2 Of 4), Eukaryotic Eukaryotes 10 0.45 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 10 0.45 Binding ≤ 10μM
KPCL-3-E Protein Kinase C Eta (cluster #3 Of 4), Eukaryotic Eukaryotes 10 0.45 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 10 0.45 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 10 0.45 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) 3.55 9.35 -10.83 1 5 0 60 327.343 2 ↓
Mid Mid (pH 6-8) 4.01 7.59 -45.67 0 5 -1 63 326.335 2 ↓

Parameters Provided:

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

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