UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Sodium oxybate Sodium oxybate

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Vendors

And 8 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q6RY99-1-E Gamma-hydroxybutyrate Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6600 1.04 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) -0.53 -0.64 -47.34 1 3 -1 60 103.097 3 ↓

Analogs

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Popular Name: DNC012737 DNC012737

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q6RY99-1-E Gamma-hydroxybutyrate Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.92 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) 1.72 3.36 -47.86 1 3 -1 60 183.227 3 ↓

Analogs

7998913
7998913

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Popular Name: 4-Hydroxy-but-2-enoic acid 4-Hydroxy-but-2-enoic acid

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Vendors

And 5 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q6RY99-1-E Gamma-hydroxybutyrate Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4 1.68 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) -0.55 0.11 -48.1 1 3 -1 60 101.081 2 ↓

Parameters Provided:

target.name = Q6RY99-1-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 'Q6RY99-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Q6RY99-1-E&target.type=B10&filter.purchasability=purchasable

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