UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Glutathione Glutathione

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Vendors

And 54 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSTK1-1-E Glutathione S-transferase Kappa 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.54 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) -4.97 -0.38 -79.69 5 9 -1 166 306.32 9 ↓
Hi High (pH 8-9.5) -4.97 -0.7 -93.89 4 9 -2 164 305.312 9 ↓
Hi High (pH 8-9.5) 2.30 6.24 -93.26 7 7 2 113 440.498 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: GSH GSH

Find On: PubMed — Wikipedia — Google

Vendors

And 19 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSTK1-1-E Glutathione S-transferase Kappa 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.54 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) -4.49 -7.11 -87.83 5 9 -1 166 306.32 9 ↓
Hi High (pH 8-9.5) -4.49 -8.07 -138.44 5 9 -2 166 305.312 9 ↓
Hi High (pH 8-9.5) 2.30 6.79 -93.44 7 7 2 113 440.498 4 ↓

Parameters Provided:

annotation.name = GSTK1_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'GSTK1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=GSTK1_HUMAN&filter.purchasability=purchasable

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