ZINC 12

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Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

4335977

Analogs

Draw Identity 99% 90% 80% 70%

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And 37 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AAK1-2-E	Adaptor-associated Kinase (cluster #2 Of 2), Eukaryotic	Eukaryotes	35	0.61	Binding ≤ 10μM
AURKA-2-E	Serine/threonine-protein Kinase Aurora-A (cluster #2 Of 3), Eukaryotic	Eukaryotes	980	0.49	Binding ≤ 10μM
AURKC-2-E	Serine/threonine-protein Kinase Aurora-C (cluster #2 Of 2), Eukaryotic	Eukaryotes	5300	0.43	Binding ≤ 10μM
BMP2K-2-E	BMP-2-inducible Protein Kinase (cluster #2 Of 2), Eukaryotic	Eukaryotes	25	0.63	Binding ≤ 10μM
CDK16-1-E	Serine/threonine-protein Kinase PCTAIRE-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	180	0.56	Binding ≤ 10μM
CDK2-5-E	Cyclin-dependent Kinase 2 (cluster #5 Of 5), Eukaryotic	Eukaryotes	3200	0.45	Binding ≤ 10μM
CLK2-2-E	Dual Specificity Protein Kinase CLK2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	300	0.54	Binding ≤ 10μM
CLK4-2-E	Dual Specificity Protein Kinase CLK4 (cluster #2 Of 2), Eukaryotic	Eukaryotes	260	0.54	Binding ≤ 10μM
DAPK2-2-E	Death-associated Protein Kinase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	610	0.51	Binding ≤ 10μM
DAPK3-2-E	Death-associated Protein Kinase 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	410	0.53	Binding ≤ 10μM
E2AK2-1-E	Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	8000	0.42	Binding ≤ 10μM
EPHA3-2-E	Ephrin Type-A Receptor 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4000	0.44	Binding ≤ 10μM
GAK-2-E	Serine/threonine-protein Kinase GAK (cluster #2 Of 2), Eukaryotic	Eukaryotes	38	0.61	Binding ≤ 10μM
JAK3-2-E	Tyrosine-protein Kinase JAK3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	957	0.50	Binding ≤ 10μM
KC1E-2-E	Casein Kinase I Epsilon (cluster #2 Of 2), Eukaryotic	Eukaryotes	3100	0.45	Binding ≤ 10μM
KC1G1-2-E	Casein Kinase I Gamma 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3700	0.45	Binding ≤ 10μM
KCC1A-2-E	CaM Kinase I Alpha (cluster #2 Of 2), Eukaryotic	Eukaryotes	4100	0.44	Binding ≤ 10μM
KCC1D-2-E	CaM Kinase I Delta (cluster #2 Of 2), Eukaryotic	Eukaryotes	1400	0.48	Binding ≤ 10μM
KCC1G-2-E	CaM Kinase I Gamma (cluster #2 Of 2), Eukaryotic	Eukaryotes	4200	0.44	Binding ≤ 10μM
KKCC2-2-E	CaM-kinase Kinase Beta (cluster #2 Of 2), Eukaryotic	Eukaryotes	7500	0.42	Binding ≤ 10μM
KS6A2-2-E	Ribosomal Protein S6 Kinase Alpha 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2200	0.47	Binding ≤ 10μM
KS6A5-1-E	Ribosomal Protein S6 Kinase Alpha 5 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1700	0.48	Binding ≤ 10μM
MARK2-2-E	MAP/microtubule Affinity-regulating Kinase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1800	0.47	Binding ≤ 10μM
MK08-5-E	Mitogen-activated Protein Kinase 8 (cluster #5 Of 5), Eukaryotic	Eukaryotes	40	0.61	Binding ≤ 10μM
MK09-3-E	C-Jun N-terminal Kinase 2 (cluster #3 Of 3), Eukaryotic	Eukaryotes	84	0.58	Binding ≤ 10μM
MK10-2-E	C-Jun N-terminal Kinase 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	90	0.58	Binding ≤ 10μM
MK12-2-E	MAP Kinase P38 Gamma (cluster #2 Of 2), Eukaryotic	Eukaryotes	2400	0.46	Binding ≤ 10μM
MKNK2-2-E	MAP Kinase Signal-integrating Kinase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1000	0.49	Binding ≤ 10μM
PHKG2-2-E	Phosphorylase Kinase Gamma Subunit 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	480	0.52	Binding ≤ 10μM
PIM2-2-E	Serine/threonine-protein Kinase PIM2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	460	0.52	Binding ≤ 10μM
PLK4-1-E	Serine/threonine-protein Kinase PLK4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	770	0.50	Binding ≤ 10μM
SLK-2-E	Serine/threonine-protein Kinase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2300	0.46	Binding ≤ 10μM
ST17A-2-E	Serine/threonine-protein Kinase 17A (cluster #2 Of 2), Eukaryotic	Eukaryotes	2100	0.47	Binding ≤ 10μM
ST38L-2-E	Serine/threonine-protein Kinase 38-like (cluster #2 Of 2), Eukaryotic	Eukaryotes	2300	0.46	Binding ≤ 10μM
STK16-1-E	Serine/threonine-protein Kinase 16 (cluster #1 Of 1), Eukaryotic	Eukaryotes	510	0.52	Binding ≤ 10μM
STK3-2-E	Serine/threonine-protein Kinase MST2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	220	0.55	Binding ≤ 10μM
STK4-2-E	Serine/threonine-protein Kinase MST1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2200	0.47	Binding ≤ 10μM
TNIK-2-E	TRAF2- And NCK-interacting Kinase (cluster #2 Of 2), Eukaryotic	Eukaryotes	480	0.52	Binding ≤ 10μM
TTK-2-E	Dual Specificity Protein Kinase TTK (cluster #2 Of 2), Eukaryotic	Eukaryotes	98	0.58	Binding ≤ 10μM
ULK3-2-E	Serine/threonine-protein Kinase ULK3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	680	0.51	Binding ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	7943	0.42	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	tPSA (Å²)	MWT Molecular weight (g/mol)	DL
Ref Reference (pH 7)	3.48	6.16	-10.65	1	3	46	220.231	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.49	4.15	-24.93	1	3	46	220.231	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.48	6.17	-10.96	1	3	46	220.231	↓ MOL2 SDF SMILES Flexibase

9295

Analogs

13228189

Draw Identity 99% 90% 80% 70%

Popular Name: STO-609 acetate STO-609 acetate

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AAPK1-1-E	AMP-activated Protein Kinase, Alpha-1 Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	160	0.40	Binding ≤ 10μM
AAPK2-1-E	AMP-activated Protein Kinase, Alpha-2 Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	160	0.40	Binding ≤ 10μM
CSK21-1-E	Casein Kinase II Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	190	0.39	Binding ≤ 10μM
CSK22-1-E	Casein Kinase II Alpha (prime) (cluster #1 Of 2), Eukaryotic	Eukaryotes	190	0.39	Binding ≤ 10μM
CSK2B-1-E	Casein Kinase II Beta (cluster #1 Of 3), Eukaryotic	Eukaryotes	190	0.39	Binding ≤ 10μM
DYRK2-1-E	Dual-specificity Tyrosine-phosphorylation Regulated Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	950	0.35	Binding ≤ 10μM
E2AK2-1-E	Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	100	0.41	Binding ≤ 10μM
KKCC1-1-E	CaM-kinase Kinase Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	120	0.40	Binding ≤ 10μM
KKCC2-2-E	CaM-kinase Kinase Beta (cluster #2 Of 2), Eukaryotic	Eukaryotes	10	0.47	Binding ≤ 10μM
MKNK1-1-E	MAP Kinase-interacting Serine/threonine-protein Kinase MNK1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	120	0.40	Binding ≤ 10μM
PIM2-2-E	Serine/threonine-protein Kinase PIM2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	110	0.41	Binding ≤ 10μM
PIM3-1-E	Serine/threonine-protein Kinase PIM3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	83	0.41	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)	3.74	10.05	-45.77	0	5	-1	75	313.292	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.74	10.5	-48.09	1	5	0	76	314.3	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = KKCC2-2-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 'KKCC2-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=KKCC2-2-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": "KKCC2-2-E",        
        "target.type": "B10"        

    });
</script>

ZINC 12

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Element Store BB

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Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

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