UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide N-(1-benzoyl-2-methyl-3,4-dihydr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 3620 0.33 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) 1.69 -0.61 -11.42 1 4 0 49 308.381 2 ↓

Analogs

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Popular Name: N-[(2R,4S)-1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2R,4S)-1-benzyl-2-methyl-3,4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.33 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) 4.90 13.54 -9.93 0 3 0 24 370.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4S)-1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2S,4S)-1-benzyl-2-methyl-3,4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.33 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) 4.90 14.03 -9.93 0 3 0 24 370.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4R)-1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2R,4R)-1-benzyl-2-methyl-3,4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.33 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) 4.90 12.1 -12.14 0 3 0 24 370.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4R)-1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2S,4R)-1-benzyl-2-methyl-3,4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.33 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) 4.90 13.48 -9.47 0 3 0 24 370.496 4 ↓

Analogs

4535263
4535263
4535268
4535268
9034181
9034181
9034182
9034182
9113133
9113133

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4S)-2-methyl-1-[(E)-3-phenylacryloyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2S,4S)-2-methyl-1-[(E)-3-phe…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 210 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) 5.17 3.27 -15.75 0 4 0 40 410.517 4 ↓

Analogs

4535263
4535263
4535268
4535268
9034181
9034181
9034182
9034182
9113133
9113133

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-methyl-1-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[2-methyl-1-(3-phenylprop-2-en…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 210 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) 5.17 2.26 -9.64 0 4 0 40 410.517 4 ↓

Analogs

4535268
4535268
9034181
9034181
9034182
9034182
9113133
9113133
13756539
13756539

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-methyl-1-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[2-methyl-1-(3-phenylprop-2-en…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 210 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) 5.17 2.81 -11.46 0 4 0 40 410.517 4 ↓

Analogs

9034181
9034181
9034182
9034182
9113133
9113133
13756539
13756539
4535263
4535263

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-methyl-1-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[2-methyl-1-(3-phenylprop-2-en…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 210 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) 5.17 2.97 -11.31 0 4 0 40 410.517 4 ↓

Analogs

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Popular Name: N-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-benzenesulfonamide N-[(2R,4R)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 5500 0.21 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) 6.08 12.32 -13.4 0 5 0 58 482.605 5 ↓

Analogs

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Popular Name: N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-benzenesulfonamide N-[(2S,4R)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 5500 0.21 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) 6.08 13.03 -13.83 0 5 0 58 482.605 5 ↓

Analogs

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Popular Name: N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-benzenesulfonamide N-[(2R,4S)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 5500 0.21 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) 6.08 13.02 -12.92 0 5 0 58 482.605 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-benzenesulfonamide N-[(2S,4S)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 5500 0.21 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) 6.08 13.14 -15.02 0 5 0 58 482.605 5 ↓

Analogs

4836927
4836927
6932786
6932786
8984029
8984029

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-benzamide N-[(2S,4R)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 105 0.29 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) 6.20 2.44 -11.89 0 4 0 40 446.55 4 ↓

Analogs

13940059
13940059
13940060
13940060
825995
825995

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenyl-benzamide N-(1-benzoyl-2-methyl-3,4-dihydr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 105 0.29 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) 6.20 2.47 -12.03 0 4 0 40 446.55 4 ↓

Analogs

4836927
4836927

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-benzamide N-[(2R,4R)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 105 0.29 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) 6.20 14.64 -13.09 0 4 0 41 446.55 4 ↓

Analogs

4836927
4836927

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-benzamide N-[(2S,4S)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 105 0.29 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) 6.20 15.49 -18.28 0 4 0 41 446.55 4 ↓

Analogs

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Popular Name: N-[(2S,4R)-2-methyl-1-p-anisoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2S,4R)-2-methyl-1-p-anisoyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.36 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) 4.59 2.39 -10.93 0 5 0 49 414.505 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4R)-2-methyl-1-p-anisoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2R,4R)-2-methyl-1-p-anisoyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.36 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) 4.59 1.88 -9.39 0 5 0 49 414.505 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4S)-2-methyl-1-p-anisoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2S,4S)-2-methyl-1-p-anisoyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.36 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) 4.59 2.63 -16.84 0 5 0 49 414.505 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4S)-2-methyl-1-p-anisoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2R,4S)-2-methyl-1-p-anisoyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.36 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) 4.59 2.36 -11.22 0 5 0 49 414.505 4 ↓

Analogs

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Popular Name: N-[(2S,4R)-1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2S,4R)-1-(4-tert-butylbenzoy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 34 0.32 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) 6.24 3.5 -10.36 0 4 0 40 440.587 4 ↓

Analogs

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Popular Name: N-[(2R,4R)-1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2R,4R)-1-(4-tert-butylbenzoy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 34 0.32 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) 6.24 3.04 -12.98 0 4 0 40 440.587 4 ↓

Analogs

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Popular Name: N-[(2S,4S)-1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2S,4S)-1-(4-tert-butylbenzoy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 34 0.32 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) 6.24 3.68 -15.54 0 4 0 40 440.587 4 ↓

Analogs

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Popular Name: N-[(2R,4S)-1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2R,4S)-1-(4-tert-butylbenzoy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 34 0.32 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) 6.24 3.56 -10.56 0 4 0 40 440.587 4 ↓

Analogs

4836927
4836927
6932786
6932786
8984029
8984029

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2S,4R)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 440 0.31 Binding ≤ 10μM
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic Eukaryotes 11 0.38 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) 4.53 12.25 -11.02 0 4 0 41 384.479 3 ↓

Analogs

4836927
4836927
6932786
6932786
8984029
8984029

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-acetamide N-[(2R,4S)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 420 0.31 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) 4.53 12.53 -10.75 0 4 0 41 384.479 3 ↓

Analogs

4091156
4091156
4091158
4091158
4091160
4091160
713017
713017

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl]-N-phenylacetamide N-[1-(3-methoxybenzoyl)-2-methyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 400 0.29 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) 4.57 2.38 -12.56 0 5 0 49 414.505 4 ↓

Analogs

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Popular Name: N-(2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenyl-acetamide N-(2-methyl-1-pentanoyl-3,4-dihy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 1460 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) 4.09 2.75 -15.57 0 4 0 40 364.489 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenyl-acetamide N-(2-methyl-1-pentanoyl-3,4-dihy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 1460 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) 4.09 2.9 -14.2 0 4 0 40 364.489 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenyl-acetamide N-(2-methyl-1-pentanoyl-3,4-dihy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 1460 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) 4.09 2.24 -11.59 0 4 0 40 364.489 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenyl-acetamide N-(2-methyl-1-pentanoyl-3,4-dihy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 1460 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) 4.09 2.63 -15.57 0 4 0 40 364.489 5 ↓

Analogs

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Popular Name: N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-valeramide N-[(2S,4R)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 64 0.31 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) 5.76 2.77 -10.4 0 4 0 40 426.56 6 ↓

Analogs

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Popular Name: N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-valeramide N-[(2R,4S)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 64 0.31 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) 5.76 2.78 -12.96 0 4 0 40 426.56 6 ↓

Analogs

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Popular Name: N-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-valeramide N-[(2R,4R)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 64 0.31 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) 5.76 2.28 -12.45 0 4 0 40 426.56 6 ↓

Analogs

6591728
6591728
6591729
6591729
6591730
6591730
6591731
6591731

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Popular Name: N-[(2S,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-valeramide N-[(2S,4S)-1-benzoyl-2-methyl-3,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 64 0.31 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) 5.76 2.96 -16.04 0 4 0 40 426.56 6 ↓

Analogs

713017
713017

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl]-N-phenylacetamide N-[1-(3-methoxybenzoyl)-2-methyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 15 0.35 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) 4.57 2.36 -12.39 0 5 0 49 414.505 4 ↓

Analogs

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Popular Name: CAY10471 CAY10471

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.42 Binding ≤ 10μM
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.40 Binding ≤ 10μM
PD2R-1-E Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 653 0.30 Binding ≤ 10μM
PD2R-1-E Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1200 0.29 Binding ≤ 10μM
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1394 0.28 Binding ≤ 10μM
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6852 0.25 Binding ≤ 10μM
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.41 Functional ≤ 10μM
Z81011-1-O Human Cell Lines (cluster #1 Of 3), Other Other 3 0.41 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) 3.22 10.62 -54.35 0 6 -1 82 415.466 5 ↓

Analogs

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Popular Name: CAY10471 CAY10471

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.40 Binding ≤ 10μM
PD2R-1-E Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 653 0.30 Binding ≤ 10μM
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1394 0.28 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) 3.22 10.67 -51.88 0 6 -1 82 415.466 5 ↓

Analogs

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Popular Name: 2-(4-chloro-2-phenyl-phenoxy)acetic 2-(4-chloro-2-phenyl-phenoxy)acetic

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 251 0.51 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) 3.64 9.54 -45.72 0 3 -1 49 261.684 4 ↓

Analogs

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Popular Name: 2-(4-bromo-2-phenyl-phenoxy)acetate 2-(4-bromo-2-phenyl-phenoxy)acetate

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 316 0.51 Binding ≤ 10μM
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic Eukaryotes 158 0.53 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) 3.77 0.8 -46.81 0 3 -1 49 306.135 4 ↓

Analogs

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Popular Name: Sulindac sulfide Sulindac sulfide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 3500 0.32 Binding ≤ 10μM
PGH1-1-E Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic Eukaryotes 50 0.43 Binding ≤ 10μM
PGH2-1-E Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic Eukaryotes 100 0.41 Binding ≤ 10μM
PPARG-2-E Peroxisome Proliferator-activated Receptor Gamma (cluster #2 Of 2), Eukaryotic Eukaryotes 800 0.36 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) 3.74 13.18 -53.63 0 2 -1 40 339.411 4 ↓

Analogs

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Popular Name: 2-[2-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]aminoiminomethyl]phenoxy]acetic 2-[2-[[5-(4-methoxyphenyl)-1,2,4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 1580 0.29 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) 1.88 0.22 -66.95 1 9 -1 121 378.368 8 ↓

Analogs

43446722
43446722

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Popular Name: DNC006920 DNC006920

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 886 0.61 Binding ≤ 10μM
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic Eukaryotes 6870 0.52 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) 1.31 -2.18 -43.83 1 4 -1 69 260.063 4 ↓

Analogs

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Popular Name: 2-[2-[[2-(p-tolylamino)acetyl]aminoiminomethyl]phenoxy]acetic 2-[2-[[2-(p-tolylamino)acetyl]am…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 3660 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) 2.57 -1.49 -69.12 2 7 -1 102 340.359 8 ↓

Analogs

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Popular Name: 2-[4-bromo-2-[(E)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazono]methyl]phenoxy]acetic 2-[4-bromo-2-[(E)-[(5-phenyl-1,2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 89 0.37 Binding ≤ 10μM
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic Eukaryotes 3210 0.28 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) 2.61 10.83 -63.5 1 8 -1 112 427.238 7 ↓

Analogs

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Popular Name: 2-[4-bromo-2-(8-quinolylaminoiminomethyl)phenoxy]acetic 2-[4-bromo-2-(8-quinolylaminoimi…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 54 0.41 Binding ≤ 10μM
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic Eukaryotes 643 0.35 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) 4.76 -1.26 -50.97 1 6 -1 86 399.224 6 ↓

Analogs

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Popular Name: 2-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazono]methyl]phenoxy]acetate 2-[2-[(E)-[[2-(2,4-dichloropheno…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 555 0.34 Binding ≤ 10μM
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic Eukaryotes 6320 0.28 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) 3.61 -0.17 -77.39 1 7 -1 100 396.206 8 ↓

Analogs

1284866
1284866

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Popular Name: DNC007995 DNC007995

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 5130 0.49 Binding ≤ 10μM
PD2R-2-E Prostanoid DP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 4740 0.50 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) 2.67 1.77 -45.12 0 3 -1 49 225.651 5 ↓

Analogs

36878455
36878455

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Popular Name: 2-(4-chloro-2-cyclohexylphenoxy)acetic acid 2-(4-chloro-2-cyclohexylphenoxy)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 154 0.53 Binding ≤ 10μM
PD2R-2-E Prostanoid DP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 7600 0.40 Binding ≤ 10μM
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3000 0.43 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) 3.73 1.13 -46.07 0 3 -1 49 267.732 4 ↓

Parameters Provided:

target.name = GPR44-1-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 'GPR44-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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