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4798508
4798508

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Popular Name: 2-Aminopyridine 2-Aminopyridine

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS1-5-E Nitric-oxide Synthase, Brain (cluster #5 Of 7), Eukaryotic Eukaryotes 8700 1.01 Binding ≤ 10μM
NOS2-8-E Nitric Oxide Synthase, Inducible (cluster #8 Of 9), Eukaryotic Eukaryotes 1900 1.14 Binding ≤ 10μM
NOS3-6-E Nitric Oxide Synthase, Endothelial (cluster #6 Of 7), Eukaryotic Eukaryotes 2800 1.11 Binding ≤ 10μM
P4K2A-1-E PI4-kinase Type II (cluster #1 Of 2), Eukaryotic Eukaryotes 7100 1.03 Binding ≤ 10μM
P4K2B-1-E PI4-kinase Type II Beta (cluster #1 Of 2), Eukaryotic Eukaryotes 7100 1.03 Binding ≤ 10μM
PI4KA-1-E PI4-kinase Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 7100 1.03 Binding ≤ 10μM
PI4KB-2-E PI4-kinase Beta Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 7100 1.03 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) 0.52 1.48 -4.52 2 2 0 39 94.117 0 ↓

Parameters Provided:

target.name = P4K2A-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 'P4K2A-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=P4K2A-1-E&target.type=B10&filter.purchasability=purchasable

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