UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Phenamil Phenamil

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCNNA-1-E Amiloride-sensitive Sodium Channel Alpha-subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 401 0.43 Binding ≤ 10μM
Z50425-7-O Plasmodium Falciparum (cluster #7 Of 22), Other Other 6310 0.35 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.70 2.25 -9.88 7 8 0 145 305.729 3 ↓
Hi High (pH 8-9.5) 0.77 0.39 -45.68 6 8 -1 152 304.721 3 ↓
Mid Mid (pH 6-8) 0.70 1.46 -42.83 6 8 -1 143 304.721 3 ↓

Analogs

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Popular Name: Benzamil hydrochloride Benzamil hydrochloride

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCNNA-1-E Amiloride-sensitive Sodium Channel Alpha-subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 66 0.46 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 3981 0.34 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.40 1.46 -10.52 7 8 0 145 319.756 4 ↓
Ref Reference (pH 7) 0.40 1.43 -11.4 7 8 0 145 319.756 4 ↓
Hi High (pH 8-9.5) 0.40 1.48 -41.99 6 8 -1 143 318.748 4 ↓

Analogs

1530558
1530558

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Popular Name: Amiloride hydrochloride Amiloride hydrochloride

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And 48 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 3280 0.51 Binding ≤ 10μM
ACCN3-1-E Amiloride-sensitive Cation Channel 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 4400 0.50 Binding ≤ 10μM
AOC3-2-E Amine Oxidase, Copper Containing (cluster #2 Of 2), Eukaryotic Eukaryotes 10000 0.47 Binding ≤ 10μM
SCNNA-1-E Amiloride-sensitive Sodium Channel Alpha-subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 776 0.57 Binding ≤ 10μM
UROK-4-E Urokinase-type Plasminogen Activator (cluster #4 Of 4), Eukaryotic Eukaryotes 7000 0.48 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 7943 0.48 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.37 -3.38 -10.68 8 8 0 159 229.631 1 ↓
Hi High (pH 8-9.5) -1.37 -3.35 -39.89 7 8 -1 157 228.623 1 ↓

Parameters Provided:

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

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//zinc12.docking.org/results/combination?target.name=SCNNA-1-E&target.type=B10&filter.purchasability=purchasable

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