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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-oxo-N-[(1R)-2-oxocyclohexyl]dodecanamide 3-oxo-N-[(1R)-2-oxocyclohexyl]do…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 10000 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) 3.90 10.91 -19.58 1 4 0 63 309.45 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-oxo-N-[(1S)-2-oxocyclohexyl]dodecanamide 3-oxo-N-[(1S)-2-oxocyclohexyl]do…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 10000 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) 3.90 10.92 -19.57 1 4 0 63 309.45 11 ↓

Analogs

42764633
42764633
42764884
42764884
43617550
43617550
4102234
4102234

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Popular Name: N-dodecanoyl-L-Homoserine lactone N-dodecanoyl-L-Homoserine lactone

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 40 0.52 Binding ≤ 10μM
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 40 0.52 Functional ≤ 10μM
Q9RMS5-1-B PhzR (cluster #1 Of 1), Bacterial Bacteria 5 0.58 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) 3.73 8.89 -16.42 1 4 0 55 283.412 11 ↓

Analogs

4102234
4102234

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Popular Name: N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE N-(2-OXOTETRAHYDROFURAN-3-YL)OCT…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 1750 0.50 Functional ≤ 10μM
LUXR-1-B Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial Bacteria 770 0.53 Functional ≤ 10μM
TRAR-1-B Transcriptional Activator Protein TraR (cluster #1 Of 1), Bacterial Bacteria 770 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) 1.71 5.77 -16.49 1 4 0 55 227.304 7 ↓

Analogs

6397039
6397039
8436851
8436851
38146043
38146043
42764477
42764477
6220
6220

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Popular Name: N-(3-Oxooctanoyl)homoserine lactone N-(3-Oxooctanoyl)homoserine lactone

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 150 0.56 Functional ≤ 10μM
Q9RMS5-1-B PhzR (cluster #1 Of 1), Bacterial Bacteria 11 0.66 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) 0.14 0.88 -25.16 1 5 0 72 241.287 7 ↓

Analogs

4102231
4102231
6397039
6397039

Draw Identity 99% 90% 80% 70%

Popular Name: 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide 3-oxo-N-[(3S)-2-oxotetrahydrofur…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 15 0.58 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) 1.15 7.96 -26.12 1 5 0 72 269.341 9 ↓

Analogs

42764477
42764477
4102231
4102231
6397039
6397039

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Popular Name: N-3-oxo-tetradecanoyl-L-Homoserine lactone N-3-oxo-tetradecanoyl-L-Homoseri…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 15 0.48 Functional ≤ 10μM
Q9RMS5-1-B PhzR (cluster #1 Of 1), Bacterial Bacteria 78 0.43 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 6300 0.32 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) 3.17 11.08 -26.04 1 5 0 72 325.449 13 ↓

Analogs

38146043
38146043
42764477
42764477
4102231
4102231
6397039
6397039

Draw Identity 99% 90% 80% 70%

Popular Name: N-3-oxo-dodecanoyl-L-Homoserine lactone N-3-oxo-dodecanoyl-L-Homoserine …

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 7 0.54 Functional ≤ 10μM
Q9RMS5-1-B PhzR (cluster #1 Of 1), Bacterial Bacteria 22 0.51 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 4000 0.36 Functional ≤ 10μM
Z50607-7-O Human Immunodeficiency Virus 1 (cluster #7 Of 10), Other Other 10000 0.33 Functional ≤ 10μM
Z80390-3-O PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other Other 5000 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) 2.16 1.37 -25.1 1 5 0 72 297.395 11 ↓

Analogs

42764622
42764622
38146040
38146040
38146041
38146041
35874823
35874823
35874824
35874824

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-hydroxy-N-[(3S)-2-oxotetrahydrofuran-3-yl]dodecanamide (3S)-3-hydroxy-N-[(3S)-2-oxotetr…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 54 0.48 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) 2.35 6.48 -19.72 2 5 0 76 299.411 11 ↓

Analogs

42764616
42764616
38146040
38146040
38146041
38146041
35874823
35874823

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-hydroxy-N-[(3S)-2-oxotetrahydrofuran-3-yl]dodecanamide (3R)-3-hydroxy-N-[(3S)-2-oxotetr…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 54 0.48 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) 2.35 6.48 -19.83 2 5 0 76 299.411 11 ↓

Analogs

42764884
42764884
43617550
43617550
4102234
4102234

Draw Identity 99% 90% 80% 70%

Popular Name: N-Decanoyl-L-Homoserine lactone N-Decanoyl-L-Homoserine lactone

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 250 0.51 Functional ≤ 10μM
LUXR-1-B Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial Bacteria 400 0.50 Functional ≤ 10μM
Q9RMS5-1-B PhzR (cluster #1 Of 1), Bacterial Bacteria 6 0.64 Functional ≤ 10μM
TRAR-1-B Transcriptional Activator Protein TraR (cluster #1 Of 1), Bacterial Bacteria 1050 0.47 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) 2.72 7.33 -16.44 1 4 0 55 255.358 9 ↓

Parameters Provided:

annotation.name = LASR_PSEAE
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'LASR\\_PSEAE' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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

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