ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

2149990

Analogs

34372551
41661539

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 14 More

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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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.12	-0.94	-12.15	3	5	0	85	251.311	4	↓ MOL2 SDF SMILES Flexibase

34800306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC014869 DNC014869

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And 1 More

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL

34800307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC014869 DNC014869

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL

Parameters Provided:

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

Permalink

//zinc12.docking.org/results/combination?target.name=KPCD-4-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "target.name": "KPCD-4-E",        
        "target.type": "B10"        

    });
</script>

ZINC 12

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Molport BB

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Focus Synthesis BB Make-on-Demand

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Active BioPharma

Molport BB

Sigma Aldrich (Building Blocks)

UORSY BB Make-on-demand

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Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results