ZINC 12

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Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

3871640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BALANOL BALANOL

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AKAP1-1-E	Protein Kinase A Anchoring Protein 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	40	0.26	Binding ≤ 10μM
AKAP1-1-E	Protein Kinase A Anchoring Protein 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	60	0.25	Binding ≤ 10μM
AKAP2-1-E	Protein Kinase A Anchoring Protein 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	40	0.26	Binding ≤ 10μM
AKAP2-1-E	Protein Kinase A Anchoring Protein 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	60	0.25	Binding ≤ 10μM
ARBK1-1-E	G-protein Coupled Receptor Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	42	0.26	Binding ≤ 10μM
ARBK2-1-E	Beta-adrenergic Receptor Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	47	0.26	Binding ≤ 10μM
CSK21-1-E	Casein Kinase II Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	30	0.26	Binding ≤ 10μM
CSK2B-1-E	Casein Kinase II Beta (cluster #1 Of 3), Eukaryotic	Eukaryotes	30	0.26	Binding ≤ 10μM
GRK4-1-E	G Protein-coupled Receptor Kinase 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	260	0.23	Binding ≤ 10μM
GRK5-1-E	G Protein-coupled Receptor Kinase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	160	0.24	Binding ≤ 10μM
GRK6-1-E	G Protein-coupled Receptor Kinase 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	490	0.22	Binding ≤ 10μM
GRK7-1-E	G Protein-coupled Receptor Kinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	180	0.24	Binding ≤ 10μM
KAPCA-1-E	CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	50	0.26	Binding ≤ 10μM
KAPCA-1-E	CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	80	0.25	Binding ≤ 10μM
KAPCA-1-E	CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	790	0.21	Binding ≤ 10μM
KAPCB-1-E	CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
KAPCB-1-E	CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	80	0.25	Binding ≤ 10μM
KAPCB-1-E	CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	790	0.21	Binding ≤ 10μM
KAPCG-1-E	CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
KAPCG-1-E	CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	80	0.25	Binding ≤ 10μM
KAPCG-1-E	CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	790	0.21	Binding ≤ 10μM
KPCA-1-E	Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic	Eukaryotes	67	0.25	Binding ≤ 10μM
KPCA-1-E	Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic	Eukaryotes	70	0.25	Binding ≤ 10μM
KPCA-1-E	Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic	Eukaryotes	74	0.25	Binding ≤ 10μM
KPCA-1-E	Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic	Eukaryotes	74	0.25	Binding ≤ 10μM
KPCB-1-E	Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
KPCB-1-E	Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic	Eukaryotes	30	0.26	Binding ≤ 10μM
KPCB-1-E	Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic	Eukaryotes	44	0.26	Binding ≤ 10μM
KPCB-1-E	Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic	Eukaryotes	80	0.25	Binding ≤ 10μM
KPCD-1-E	Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.29	Binding ≤ 10μM
KPCD-1-E	Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
KPCD-1-E	Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic	Eukaryotes	50	0.26	Binding ≤ 10μM
KPCD1-3-E	Protein Kinase C Mu (cluster #3 Of 3), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
KPCD3-3-E	Protein Kinase C Nu (cluster #3 Of 3), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
KPCE-1-E	Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic	Eukaryotes	38	0.26	Binding ≤ 10μM
KPCE-1-E	Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic	Eukaryotes	40	0.26	Binding ≤ 10μM
KPCE-1-E	Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic	Eukaryotes	44	0.26	Binding ≤ 10μM
KPCE-1-E	Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic	Eukaryotes	50	0.26	Binding ≤ 10μM
KPCG-1-E	Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
KPCG-1-E	Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic	Eukaryotes	30	0.26	Binding ≤ 10μM
KPCG-1-E	Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic	Eukaryotes	34	0.26	Binding ≤ 10μM
KPCI-1-E	Protein Kinase C Iota (cluster #1 Of 3), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
KPCL-2-E	Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic	Eukaryotes	3	0.30	Binding ≤ 10μM
KPCL-2-E	Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic	Eukaryotes	3	0.30	Binding ≤ 10μM
KPCL-2-E	Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
KPCT-1-E	Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
KPCZ-1-E	Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic	Eukaryotes	3500	0.19	Binding ≤ 10μM
KPCZ-1-E	Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic	Eukaryotes	3500	0.19	Binding ≤ 10μM
KPCZ-1-E	Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic	Eukaryotes	7400	0.18	Binding ≤ 10μM
RK-1-E	Rhodopsin Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	340	0.23	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)	3.01	2.97	-85.5	7	12	0	210	550.52	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = GRK5-1-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 'GRK5-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=GRK5-1-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": "GRK5-1-E",        
        "target.type": "B10"        

    });
</script>

ZINC 12

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Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

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