UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-N-(3-isobutoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide 2,2,2-trifluoro-N-(3-isobutoxyph…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM2-2-E Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 27 0.39 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) 3.66 7.65 -11.65 0 5 0 60 402.438 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: LS-191567 LS-191567

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM2-2-E Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 270 0.30 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) 4.07 0.53 -19.03 0 6 0 68 452.454 9 ↓

Analogs

3630565
3630565
3630567
3630567
4128450
4128450

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one 3-phenyl-5-(phenoxymethyl)-1,3-o…

Find On: PubMed — Wikipedia — Google

Vendors

And 10 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM2-2-E Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.38 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) 3.42 0.83 -15.39 0 4 0 38 269.3 4 ↓

Analogs

177585
177585

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one 3-phenyl-5-(phenoxymethyl)-1,3-o…

Find On: PubMed — Wikipedia — Google

Vendors

And 10 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM2-2-E Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.38 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) 3.42 0.81 -15.44 0 4 0 38 269.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-Dichloro-2-propyl-5-((3-((pyridin-4-ylthio)methyl)benzyl)oxy)-2,3-dihydro-1H-inden-1-one 6,7-Dichloro-2-propyl-5-((3-((py…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM2-2-E Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 186 0.30 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) 6.82 0.75 -14.55 0 3 0 39 472.437 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-Dichloro-2-propyl-5-((3-((pyridin-4-ylthio)methyl)benzyl)oxy)-2,3-dihydro-1H-inden-1-one 6,7-Dichloro-2-propyl-5-((3-((py…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM2-2-E Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 186 0.30 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) 6.82 15.01 -14.58 0 3 0 39 472.437 8 ↓
Lo Low (pH 4.5-6) 6.82 15.31 -44.34 1 3 1 40 473.445 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vinyl]-1H-[1,2,4]triazole 1-[2-Cycloheptyloxy-2-(2,6-dichl…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM2-2-E Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 500 0.38 Binding ≤ 10μM
GRM2-2-E Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 110 0.42 Functional ≤ 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) 4.62 13.6 -8.73 0 4 0 40 352.265 4 ↓

Parameters Provided:

target.name = GRM2-2-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 'GRM2-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=GRM2-2-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results