UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3831264
3831264

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Popular Name: Vecuronium Vecuronium

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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
KCNN1-2-E Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 4500 0.19 Binding ≤ 10μM
KCNN2-2-E Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 4500 0.19 Binding ≤ 10μM
KCNN3-2-E Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 4500 0.19 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) 2.35 6.65 -80.57 1 6 2 57 558.848 6 ↓

Analogs

3831264
3831264

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Popular Name: Pancuronium bromide Pancuronium bromide

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNN1-2-E Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.19 Binding ≤ 10μM
KCNN2-2-E Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.19 Binding ≤ 10μM
KCNN3-2-E Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.19 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) -1.62 6.61 -81.58 0 6 2 52 572.875 6 ↓

Analogs

629249
629249
4082352
4082352
19899010
19899010
19899011
19899011
31502675
31502675

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Popular Name: (-)-Bicuculline methiodide (-)-Bicuculline methiodide

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Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNN3-2-E Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 7000 0.26 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) -1.10 9.04 -65.76 0 7 1 63 382.392 1 ↓

Parameters Provided:

target.name = KCNN3-2-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 'KCNN3-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=KCNN3-2-E&target.type=B10&filter.purchasability=purchasable

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