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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-benzyl-5-[(2S)-2-(3-pyridyloxymethyl)pyrrolidin-1-yl]sulfonyl-indoline-2,3-dione 1-benzyl-5-[(2S)-2-(3-pyridyloxy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASP3-1-E Caspase-3 (cluster #1 Of 2), Eukaryotic Eukaryotes 650 0.25 Binding ≤ 10μM
CASP7-1-E Caspase-7 (cluster #1 Of 1), Eukaryotic Eukaryotes 14 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASP3_HUMAN P42574 Caspase-3, Human 5.2 0.34 Binding ≤ 1μM
CASP7_HUMAN P55210 Caspase-7, Human 14.1 0.32 Binding ≤ 1μM
CASP3_HUMAN P42574 Caspase-3, Human 5.2 0.34 Binding ≤ 10μM
CASP7_HUMAN P55210 Caspase-7, Human 14.1 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) 2.78 8.42 -18.73 0 8 0 99 477.542 7 ↓

Analogs

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Popular Name: 1-[(4-methoxyphenyl)methyl]-5-[(2S)-2-(3-pyridyloxymethyl)pyrrolidin-1-yl]sulfonyl-indoline-2,3-dion 1-[(4-methoxyphenyl)methyl]-5-[(…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASP3-1-E Caspase-3 (cluster #1 Of 2), Eukaryotic Eukaryotes 450 0.25 Binding ≤ 10μM
CASP7-1-E Caspase-7 (cluster #1 Of 1), Eukaryotic Eukaryotes 15 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASP3_HUMAN P42574 Caspase-3, Human 3.9 0.33 Binding ≤ 1μM
CASP7_HUMAN P55210 Caspase-7, Human 15.1 0.30 Binding ≤ 1μM
CASP3_HUMAN P42574 Caspase-3, Human 3.9 0.33 Binding ≤ 10μM
CASP7_HUMAN P55210 Caspase-7, Human 15.1 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) 2.84 7.7 -20.45 0 9 0 108 507.568 8 ↓

Analogs

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Popular Name: 1-[(4-methylsulfanylphenyl)methyl]-5-[(2S)-2-(3-pyridyloxymethyl)pyrrolidin-1-yl]sulfonyl-indoline-2 1-[(4-methylsulfanylphenyl)methy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASP3-1-E Caspase-3 (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.33 Binding ≤ 10μM
CASP7-1-E Caspase-7 (cluster #1 Of 1), Eukaryotic Eukaryotes 23 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASP3_HUMAN P42574 Caspase-3, Human 4.4 0.32 Binding ≤ 1μM
CASP7_HUMAN P55210 Caspase-7, Human 23.3 0.30 Binding ≤ 1μM
CASP3_HUMAN P42574 Caspase-3, Human 4.4 0.32 Binding ≤ 10μM
CASP7_HUMAN P55210 Caspase-7, Human 23.3 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) 3.22 9.42 -20.1 0 8 0 99 523.636 8 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-5-[(2S)-2-(3-pyridyloxymethyl)pyrrolidin-1-yl]sulfonyl-indoline-2,3-dione 1-[(4-fluorophenyl)methyl]-5-[(2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASP3-1-E Caspase-3 (cluster #1 Of 2), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
CASP7-1-E Caspase-7 (cluster #1 Of 1), Eukaryotic Eukaryotes 15 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASP3_HUMAN P42574 Caspase-3, Human 8.4 0.32 Binding ≤ 1μM
CASP7_HUMAN P55210 Caspase-7, Human 15.1 0.31 Binding ≤ 1μM
CASP3_HUMAN P42574 Caspase-3, Human 8.4 0.32 Binding ≤ 10μM
CASP7_HUMAN P55210 Caspase-7, Human 15.1 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) 2.95 8.61 -22.04 0 8 0 99 495.532 7 ↓