UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5151305
5151305

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Popular Name: BRD-A56418171-001-01-5 BRD-A56418171-001-01-5

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUXN-1-B Autoinducer 1 Sensor Kinase/phosphatase LuxN (cluster #1 Of 1), Bacterial Bacteria 2900 0.26 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) 2.80 4.57 -15.69 2 7 0 97 447.582 8 ↓

Analogs

5151305
5151305

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A56418171-001-01-5 BRD-A56418171-001-01-5

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUXN-1-B Autoinducer 1 Sensor Kinase/phosphatase LuxN (cluster #1 Of 1), Bacterial Bacteria 2900 0.26 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) 2.80 4.49 -17.76 2 7 0 97 447.582 8 ↓

Analogs

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Popular Name: (4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylphenyl]methanone (4-chlorophenyl)-[4-(4-chlorophe…

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Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUXN-1-B Autoinducer 1 Sensor Kinase/phosphatase LuxN (cluster #1 Of 1), Bacterial Bacteria 2600 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) 5.59 9.51 -11.02 0 3 0 51 391.275 4 ↓

Analogs

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Popular Name: BRD-K63963312-001-01-9 BRD-K63963312-001-01-9

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUXN-1-B Autoinducer 1 Sensor Kinase/phosphatase LuxN (cluster #1 Of 1), Bacterial Bacteria 2400 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) 4.89 11.42 -12.23 1 3 0 38 337.463 6 ↓

Parameters Provided:

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

Permalink

//zinc12.docking.org/results/combination?target.name=LUXN-1-B&target.type=B10&filter.purchasability=purchasable

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