UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

26908
26908
26909
26909
591167
591167
4033800
4033800

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RPC10-1-E DNA-directed RNA Polymerases III 12.5 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 590 0.42 Binding ≤ 10μM
RPC4-1-E DNA-directed RNA Polymerase III 47 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 590 0.42 Binding ≤ 10μM
RPC6-1-E DNA-directed RNA Polymerase III 39 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 590 0.42 Binding ≤ 10μM
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 200 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 200 0.45 Binding ≤ 1μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 590 0.42 Binding ≤ 1μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 590 0.42 Binding ≤ 1μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 590 0.42 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 200 0.45 Binding ≤ 10μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 590 0.42 Binding ≤ 10μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 590 0.42 Binding ≤ 10μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 590 0.42 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) 2.16 4.62 -10.27 3 6 0 87 289.335 5 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 43 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 43 0.43 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 43 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) 3.21 6.36 -10.3 3 6 0 87 331.416 8 ↓

Analogs

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Popular Name: 3-[(4R)-4,5-dihydroxypentyl]-6-[(3-ethyl-4-methyl-phenyl)amino]-1H-pyrimidine-2,4-dione 3-[(4R)-4,5-dihydroxypentyl]-6-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 96 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 96 0.39 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 96 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) 2.06 3.33 -12.98 4 7 0 107 347.415 8 ↓

Analogs

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Popular Name: 3-[(4S)-4,5-dihydroxypentyl]-6-[(3-ethyl-4-methyl-phenyl)amino]-1H-pyrimidine-2,4-dione 3-[(4S)-4,5-dihydroxypentyl]-6-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 96 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 96 0.39 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 96 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) 2.06 3.5 -13.47 4 7 0 107 347.415 8 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(6-hydroxyhexyl)-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 49 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 49 0.41 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 49 0.41 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 7.13 -10.09 3 6 0 87 345.443 9 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(8-hydroxyoctyl)-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 26 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 26 0.39 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 26 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) 4.73 8.7 -10.21 3 6 0 87 373.497 11 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(9-hydroxynonyl)-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 87 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 87 0.35 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 87 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) 5.23 9.49 -10.17 3 6 0 87 387.524 12 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 51 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 51 0.35 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 51 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) 5.74 10.26 -10.15 3 6 0 87 401.551 13 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-[(E)-4-hydroxybut-2-enyl]-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 51 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 51 0.44 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 51 0.44 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) 2.68 5.61 -11.51 3 6 0 87 315.373 6 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(4-hydroxybut-2-ynyl)-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 68 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 68 0.44 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 68 0.44 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) 2.76 5.69 -13.79 3 6 0 87 313.357 4 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-[2-(2-hydroxyethoxy)ethyl]-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 125 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 125 0.40 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 125 0.40 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) 2.05 4.87 -12.11 3 7 0 96 333.388 8 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 87 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 87 0.37 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 87 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) 1.85 5.19 -13.64 3 8 0 106 377.441 11 ↓

Analogs

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Popular Name: 2-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]ethyl 2-[4-[(3-ethyl-4-methyl-phenyl)a…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 120 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 120 0.40 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 120 0.40 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) 2.87 8.68 -11.85 2 7 0 93 331.372 7 ↓

Analogs

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Popular Name: 3-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]propyl 3-[4-[(3-ethyl-4-methyl-phenyl)a…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 120 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 120 0.39 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 120 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) 3.14 9.11 -12.19 2 7 0 93 345.399 8 ↓

Analogs

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Popular Name: 4-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]butyl 4-[4-[(3-ethyl-4-methyl-phenyl)a…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 58 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 58 0.39 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 58 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) 3.41 9.9 -12.5 2 7 0 93 359.426 9 ↓

Analogs

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Popular Name: 5-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]pentyl 5-[4-[(3-ethyl-4-methyl-phenyl)a…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 68 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 68 0.37 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 68 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) 3.91 10.67 -12.57 2 7 0 93 373.453 10 ↓

Analogs

26909
26909

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RPC10-1-E DNA-directed RNA Polymerases III 12.5 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 580 0.40 Binding ≤ 10μM
RPC4-1-E DNA-directed RNA Polymerase III 47 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 580 0.40 Binding ≤ 10μM
RPC6-1-E DNA-directed RNA Polymerase III 39 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 580 0.40 Binding ≤ 10μM
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 127 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 127 0.44 Binding ≤ 1μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 580 0.40 Binding ≤ 1μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 580 0.40 Binding ≤ 1μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 580 0.40 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 127 0.44 Binding ≤ 10μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 580 0.40 Binding ≤ 10μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 580 0.40 Binding ≤ 10μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 580 0.40 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 6.97 -9.4 2 6 0 76 303.362 6 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(3-methoxypropyl)-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RPC10-1-E DNA-directed RNA Polymerases III 12.5 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.37 Binding ≤ 10μM
RPC4-1-E DNA-directed RNA Polymerase III 47 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.37 Binding ≤ 10μM
RPC6-1-E DNA-directed RNA Polymerase III 39 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.37 Binding ≤ 10μM
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 120 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 120 0.42 Binding ≤ 1μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 1000 0.37 Binding ≤ 1μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 1000 0.37 Binding ≤ 1μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 1000 0.37 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 120 0.42 Binding ≤ 10μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 1000 0.37 Binding ≤ 10μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 1000 0.37 Binding ≤ 10μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 1000 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) 3.05 7.2 -9.47 2 6 0 76 317.389 7 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 45 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 45 0.41 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 45 0.41 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) 2.58 7.24 -11.3 2 7 0 85 347.415 9 ↓

Analogs

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Popular Name: 4-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]butanenitrile 4-[4-[(3-ethyl-4-methyl-phenyl)a…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 140 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 140 0.42 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 140 0.42 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) 2.52 8.65 -13.15 2 6 0 91 312.373 6 ↓

Analogs

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Popular Name: 5-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]pentanenitrile 5-[4-[(3-ethyl-4-methyl-phenyl)a…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 94 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 94 0.41 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 94 0.41 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) 3.03 9.43 -12.84 2 6 0 91 326.4 7 ↓

Analogs

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Popular Name: 4-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]butanoic 4-[4-[(3-ethyl-4-methyl-phenyl)a…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 57 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 57 0.42 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 57 0.42 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) 2.58 7.93 -54.78 2 7 -1 107 330.364 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 100 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 100 0.38 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 100 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) 3.27 9.86 -12.49 2 7 0 93 359.426 9 ↓

Analogs

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Popular Name: ethyl ethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 76 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 76 0.37 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 76 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) 3.77 10.64 -11.74 2 7 0 93 373.453 10 ↓

Analogs

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Popular Name: 3-acetonyl-6-[(3-ethyl-4-methyl-phenyl)amino]-1H-pyrimidine-2,4-dione 3-acetonyl-6-[(3-ethyl-4-methyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 300 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 300 0.42 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 300 0.42 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) 2.34 7.57 -12.53 2 6 0 84 301.346 5 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 61 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 61 0.42 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 61 0.42 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) 2.88 8.78 -13.22 2 6 0 84 329.4 7 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-[4-(2-hydroxyethylamino)butyl]-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 28 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 28 0.41 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 28 0.41 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) 2.14 5.79 -40.78 5 7 1 104 361.466 10 ↓

Analogs

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Popular Name: 3-[4-(bis(2-hydroxyethyl)amino)butyl]-6-[(3-ethyl-4-methyl-phenyl)amino]-1H-pyrimidine-2,4-dione 3-[4-(bis(2-hydroxyethyl)amino)b…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 21 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 21 0.37 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 21 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) 2.10 5.22 -36.75 5 8 1 112 405.519 12 ↓

Analogs

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Popular Name: 3-(5-aminopentyl)-6-[(3-ethyl-4-methyl-phenyl)amino]-1H-pyrimidine-2,4-dione 3-(5-aminopentyl)-6-[(3-ethyl-4-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 185 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 185 0.39 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 185 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) 2.65 7.08 -46.48 5 6 1 95 331.44 8 ↓

Analogs

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Popular Name: N-[4-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]butyl]propanamide N-[4-[4-[(3-ethyl-4-methyl-pheny…

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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) 3.32 8.08 -14.89 3 7 0 96 372.469 9 ↓

Analogs

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Popular Name: 2-chloro-N-[4-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]butyl]acetamide 2-chloro-N-[4-[4-[(3-ethyl-4-met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 35 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 35 0.39 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 35 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) 3.05 7.9 -16.33 3 7 0 96 392.887 9 ↓

Analogs

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Popular Name: N-[2-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]ethyl]methanesulfonamide N-[2-[4-[(3-ethyl-4-methyl-pheny…

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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) 1.96 3.52 -17.03 3 8 0 113 366.443 7 ↓

Analogs

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Popular Name: N,N-diethyl-2-[4-[(3-ethyl-4-methyl-phenyl)amino]-2,6-dioxo-3H-pyrimidin-1-yl]acetamide N,N-diethyl-2-[4-[(3-ethyl-4-met…

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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) 2.90 9.09 -15.17 2 7 0 87 358.442 7 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(5-iodopentyl)-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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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) 4.85 10.9 -8.65 2 5 0 67 441.313 8 ↓

Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RPC10-1-E DNA-directed RNA Polymerases III 12.5 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.47 Binding ≤ 10μM
RPC4-1-E DNA-directed RNA Polymerase III 47 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.47 Binding ≤ 10μM
RPC6-1-E DNA-directed RNA Polymerase III 39 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.47 Binding ≤ 10μM
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 310 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 310 0.51 Binding ≤ 1μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 1000 0.47 Binding ≤ 1μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 1000 0.47 Binding ≤ 1μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 1000 0.47 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 310 0.51 Binding ≤ 10μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 1000 0.47 Binding ≤ 10μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 1000 0.47 Binding ≤ 10μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 1000 0.47 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) 2.73 4.37 -9.33 3 5 0 78 245.282 3 ↓

Analogs

26907
26907
26908
26908
26909
26909
591167
591167
4033800
4033800

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Popular Name: 3-ethyl-6-[(3-ethyl-4-methyl-phenyl)amino]-1H-pyrimidine-2,4-dione 3-ethyl-6-[(3-ethyl-4-methyl-phe…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RPC10-1-E DNA-directed RNA Polymerases III 12.5 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.48 Binding ≤ 10μM
RPC4-1-E DNA-directed RNA Polymerase III 47 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.48 Binding ≤ 10μM
RPC6-1-E DNA-directed RNA Polymerase III 39 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 120 0.48 Binding ≤ 1μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 120 0.48 Binding ≤ 1μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 120 0.48 Binding ≤ 1μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 120 0.48 Binding ≤ 10μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 120 0.48 Binding ≤ 10μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 120 0.48 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) 3.17 7.55 -8.82 2 5 0 67 273.336 4 ↓

Analogs

26909
26909
591167
591167
4033800
4033800

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Popular Name: 3-allyl-6-[(3-ethyl-4-methyl-phenyl)amino]-1H-pyrimidine-2,4-dione 3-allyl-6-[(3-ethyl-4-methyl-phe…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RPC10-1-E DNA-directed RNA Polymerases III 12.5 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 210 0.45 Binding ≤ 10μM
RPC4-1-E DNA-directed RNA Polymerase III 47 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 210 0.45 Binding ≤ 10μM
RPC6-1-E DNA-directed RNA Polymerase III 39 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 210 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 210 0.45 Binding ≤ 1μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 210 0.45 Binding ≤ 1μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 210 0.45 Binding ≤ 1μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 210 0.45 Binding ≤ 10μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 210 0.45 Binding ≤ 10μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 210 0.45 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) 3.44 8.1 -8.75 2 5 0 67 285.347 5 ↓

Analogs

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Popular Name: 6-(3-chloro-5-fluoro-anilino)uracil 6-(3-chloro-5-fluoro-anilino)uracil

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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) 2.21 1.22 -18.35 3 5 0 78 255.636 2 ↓

Analogs

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Popular Name: 6-(3,5-difluoroanilino)uracil 6-(3,5-difluoroanilino)uracil

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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 0.77 -18.66 3 5 0 78 239.181 2 ↓

Analogs

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Popular Name: 6-(3,5-dichloroanilino)uracil 6-(3,5-dichloroanilino)uracil

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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) 2.72 3.32 -9.74 3 5 0 78 272.091 2 ↓

Analogs

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Popular Name: 6-(3,4-difluoroanilino)uracil 6-(3,4-difluoroanilino)uracil

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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 0.74 -20.13 3 5 0 78 239.181 2 ↓

Analogs

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Popular Name: 6-(4-chloro-3-fluoro-anilino)uracil 6-(4-chloro-3-fluoro-anilino)uracil

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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) 2.21 1.2 -19.2 3 5 0 78 255.636 2 ↓

Analogs

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Popular Name: 6-(3-chloro-4-fluoro-anilino)uracil 6-(3-chloro-4-fluoro-anilino)uracil

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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) 2.21 1.19 -19.34 3 5 0 78 255.636 2 ↓

Analogs

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Popular Name: N-[[3-[(5-cyano-1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]phenyl]methyl]-N-methyl-acetamide N-[[3-[(5-cyano-1,3-dimethyl-2,6…

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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) 0.40 7.52 -18.34 1 8 0 100 341.371 4 ↓

Parameters Provided:

ring.id = 85969
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 85969 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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