UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2534417
2534417
2555279
2555279
2584378
2584378
3871453
3871453
4288254
4288254

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Popular Name: AGN192403hydrochloride AGN192403hydrochloride

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NISCH-4-E Nischarin (cluster #4 Of 4), Eukaryotic Eukaryotes 42 0.94 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) 2.70 -1.16 -40.5 3 1 1 27 154.277 1 ↓

Analogs

33974643
33974643
34332919
34332919
34332920
34332920
39328171
39328171
39328173
39328173

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Popular Name: AGN192403hydrochloride AGN192403hydrochloride

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NISCH-4-E Nischarin (cluster #4 Of 4), Eukaryotic Eukaryotes 42 0.94 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) 2.70 -0.57 -38.75 3 1 1 27 154.277 1 ↓

Analogs

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Popular Name: Rilmenidine Rilmenidine

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Vendors

And 19 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NISCH-4-E Nischarin (cluster #4 Of 4), Eukaryotic Eukaryotes 59 0.78 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) 1.58 2.95 -27.07 2 3 1 35 181.259 4 ↓

Parameters Provided:

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

Permalink

//zinc12.docking.org/results/combination?target.name=NISCH-4-E&target.type=B10&filter.purchasability=purchasable

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