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12502895
12502895
12502898
12502898
3872695
3872695
3872694
3872694

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Popular Name: (2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-2-hydroxymethyl-7,9-diaza-1-oxa-spiro[4,5]decane-10-one-8-thione (2R,3S,4S,5R,6S)-3,4,5-Trihydrox…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYGB-1-E Brain Glycogen Phosphorylase (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
PYGL-2-E Liver Glycogen Phosphorylase (cluster #2 Of 2), Eukaryotic Eukaryotes 5100 0.44 Binding ≤ 10μM
PYGM-4-E Muscle Glycogen Phosphorylase (cluster #4 Of 4), Eukaryotic Eukaryotes 5100 0.44 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) -2.78 -16.4 -14.06 6 8 0 131 264.259 1 ↓

Parameters Provided:

target.name = PYGB-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 'PYGB-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=PYGB-1-E&target.type=B10&filter.purchasability=purchasable

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