UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Miltirone Miltirone

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GBRA1-2-E GABA Receptor Alpha-1 Subunit (cluster #2 Of 8), Eukaryotic Eukaryotes 300 0.43 Binding ≤ 10μM
GBRA2-2-E GABA Receptor Alpha-2 Subunit (cluster #2 Of 8), Eukaryotic Eukaryotes 300 0.43 Binding ≤ 10μM
GBRA3-2-E GABA Receptor Alpha-3 Subunit (cluster #2 Of 8), Eukaryotic Eukaryotes 300 0.43 Binding ≤ 10μM
GBRA4-2-E GABA Receptor Alpha-4 Subunit (cluster #2 Of 7), Eukaryotic Eukaryotes 300 0.43 Binding ≤ 10μM
GBRB1-3-E GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic Eukaryotes 300 0.43 Binding ≤ 10μM
GBRG2-1-E GABA Receptor Gamma-2 Subunit (cluster #1 Of 7), Eukaryotic Eukaryotes 300 0.43 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) 4.52 3.23 -10.97 0 2 0 34 282.383 1 ↓

Parameters Provided:

target.name = GBRA2-2-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 'GBRA2-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=GBRA2-2-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results