UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13350890
13350890
42764482
42764482
42764633
42764633
42764884
42764884
43617550
43617550

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Popular Name: N-Heptanoylhomoserine lactone N-Heptanoylhomoserine lactone

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRAR-1-B Transcriptional Activator Protein TraR (cluster #1 Of 1), Bacterial Bacteria 130 0.64 Binding ≤ 10μM
LUXR-1-B Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial Bacteria 1360 0.55 Functional ≤ 10μM
TRAR-1-B Transcriptional Activator Protein TraR (cluster #1 Of 1), Bacterial Bacteria 690 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) 1.21 0.08 -16.29 1 4 0 55 213.277 6 ↓

Analogs

4102234
4102234

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

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 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

42764884
42764884
43617550
43617550
4102234
4102234

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

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 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 = TRAR_RHIRD
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 'TRAR\\_RHIRD' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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

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