UCSF
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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA3R-5-E Adenosine Receptor A3 (cluster #5 Of 6), Eukaryotic Eukaryotes 16 1.36 Binding ≤ 10μM
GBRA1-5-E GABA Receptor Alpha-1 Subunit (cluster #5 Of 8), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
GBRA2-7-E GABA Receptor Alpha-2 Subunit (cluster #7 Of 8), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
GBRA3-6-E GABA Receptor Alpha-3 Subunit (cluster #6 Of 8), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
GBRA4-6-E GABA Receptor Alpha-4 Subunit (cluster #6 Of 7), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
GBRA5-5-E GABA Receptor Alpha-5 Subunit (cluster #5 Of 8), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
GBRA6-5-E GABA Receptor Alpha-6 Subunit (cluster #5 Of 8), Eukaryotic Eukaryotes 2 1.52 Binding ≤ 10μM
GBRB1-5-E GABA Receptor Beta-1 Subunit (cluster #5 Of 6), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
GBRB2-3-E GABA Receptor Beta-2 Subunit (cluster #3 Of 7), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
GBRB3-3-E GABA Receptor Beta-3 Subunit (cluster #3 Of 6), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
GBRD-2-E GABA Receptor Delta Subunit (cluster #2 Of 5), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
GBRE-2-E GABA Receptor Epsilon Subunit (cluster #2 Of 5), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
GBRG1-3-E GABA Receptor Gamma-1 Subunit (cluster #3 Of 7), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
GBRG2-4-E GABA Receptor Gamma-2 Subunit (cluster #4 Of 7), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
GBRG3-6-E GABA Receptor Gamma-3 Subunit (cluster #6 Of 7), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
GBRP-2-E GABA Receptor Pi Subunit (cluster #2 Of 6), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
GBRT-3-E GABA Receptor Theta Subunit (cluster #3 Of 5), Eukaryotic Eukaryotes 11 1.39 Binding ≤ 10μM
GBRA1-3-E GABA Receptor Alpha-1 Subunit (cluster #3 Of 5), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
GBRA2-3-E GABA Receptor Alpha-2 Subunit (cluster #3 Of 4), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
GBRA3-3-E GABA Receptor Alpha-3 Subunit (cluster #3 Of 4), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
GBRA4-3-E GABA Receptor Alpha-4 Subunit (cluster #3 Of 4), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
GBRA5-2-E GABA Receptor Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
GBRA6-2-E GABA Receptor Alpha-6 Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 135 1.20 Functional ≤ 10μM
GBRR1-2-E GABA Receptor Rho-1 Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 2300 0.99 Functional ≤ 10μM
GBRR2-1-E GABA Receptor Rho-2 Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 1400 1.02 Functional ≤ 10μM
Z104301-6-O GABA-A Receptor; Anion Channel (cluster #6 Of 8), Other Other 6 1.44 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) -0.25 -3.98 -69.85 3 4 0 77 114.104 1
Hi High (pH 8-9.5) -0.25 -4.38 -47.41 2 4 -1 75 113.096 1

Parameters Provided:

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

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