UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1532194
1532194
1562159
1562159
1568901
1568901
1627245
1627245
2539250
2539250

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Popular Name: HEXAMETHONIUM BROMIDE HEXAMETHONIUM BROMIDE

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Vendors

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACHA-3-E Acetylcholine Receptor Protein Alpha Chain (cluster #3 Of 4), Eukaryotic Eukaryotes 1800 0.57 Binding ≤ 10μM
ACHB-2-E Acetylcholine Receptor Protein Beta Chain (cluster #2 Of 4), Eukaryotic Eukaryotes 1800 0.57 Binding ≤ 10μM
ACHD-2-E Acetylcholine Receptor Protein Delta Chain (cluster #2 Of 3), Eukaryotic Eukaryotes 1800 0.57 Binding ≤ 10μM
ACHG-2-E Acetylcholine Receptor Protein Gamma Chain (cluster #2 Of 3), Eukaryotic Eukaryotes 1800 0.57 Binding ≤ 10μM
Z104288-2-O Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #2 Of 2), Other Other 1700 0.58 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) -5.11 11.67 -72.31 0 2 2 0 202.386 7 ↓

Parameters Provided:

target.name = ACHB-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 'ACHB-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=ACHB-2-E&target.type=B10&filter.purchasability=purchasable

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