UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Sodium oxybate Sodium oxybate

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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

4227528
4227528

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Popular Name: 2-[3-(3-phenylpropoxy)phenyl]acetic 2-[3-(3-phenylpropoxy)phenyl]acetic

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q6RY99-2-E Gamma-hydroxybutyrate Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 4500 0.37 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) 3.72 9.76 -50.42 0 3 -1 49 269.32 7 ↓

Analogs

39017680
39017680
43444970
43444970
4227517
4227517

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Popular Name: 2-(3-phenethyloxyphenyl)acetic 2-(3-phenethyloxyphenyl)acetic

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q6RY99-2-E Gamma-hydroxybutyrate Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 8300 0.37 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) 3.20 8.98 -49.04 0 3 -1 49 255.293 6 ↓

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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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 ↓

Analogs

3983943
3983943
6117211
6117211
6117212
6117212

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Popular Name: ncs-382 ncs-382

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q6RY99-2-E Gamma-hydroxybutyrate Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 800 0.53 Binding ≤ 10μM
Q6RY99-2-E Gamma-hydroxybutyrate Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 900 0.53 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) 1.61 5.73 -48.46 1 3 -1 60 217.244 1 ↓
Lo Low (pH 4.5-6) 1.61 3.7 -7.01 2 3 0 58 218.252 1 ↓

Analogs

6117211
6117211
6117212
6117212
3782203
3782203

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Popular Name: ncs-382 ncs-382

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q6RY99-2-E Gamma-hydroxybutyrate Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 900 0.53 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) 1.61 5.73 -48.45 1 3 -1 60 217.244 1 ↓
Lo Low (pH 4.5-6) 1.61 3.69 -6.98 2 3 0 58 218.252 1 ↓

Parameters Provided:

annotation.name = Q6RY99_RAT
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 'Q6RY99\\_RAT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=Q6RY99_RAT&filter.purchasability=purchasable

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