UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

17286721
17286721

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Popular Name: (2E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one (2E)-1-(4-bromophenyl)-3-phenylp…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 1390 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) 4.62 1.51 -6.55 0 1 0 17 287.156 3 ↓

Analogs

5378728
5378728
33765498
33765498
4726186
4726186

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Popular Name: 2-Chlorochalcone 2-Chlorochalcone

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 2600 0.46 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) 4.26 2.13 -9.68 0 1 0 17 242.705 3 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-(2,4,6-trimethylphenyl)-prop-2-en-1-one 1-(4-bromophenyl)-3-(2,4,6-trime…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 1800 0.40 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) 5.64 2.28 -5.85 0 1 0 17 329.237 3 ↓

Analogs

5378722
5378722
6340721
6340721
33675900
33675900
38637293
38637293

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Popular Name: 1-(4-bromophenyl)-3-(p-tolyl)prop-2-en-1-one 1-(4-bromophenyl)-3-(p-tolyl)pro…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 2490 0.44 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) 5.07 1.83 -6.51 0 1 0 17 301.183 3 ↓

Analogs

6321444
6321444
6338135
6338135
6338141
6338141
6471261
6471261
34869378
34869378

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Popular Name: 4'-Bromo-2-chlorochalcone 4'-Bromo-2-chlorochalcone

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Vendors

And 7 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 2230 0.44 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) 5.07 1.37 -8.61 0 1 0 17 321.601 3 ↓

Analogs

5749771
5749771
6471261
6471261
33703591
33703591

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Popular Name: 1-(4-bromophenyl)-3-(2,3-dichlorophenyl)-prop-2-en-1-one 1-(4-bromophenyl)-3-(2,3-dichlor…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 1110 0.44 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) 5.70 1.23 -10.13 0 1 0 17 356.046 3 ↓

Analogs

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Popular Name: 3-(1H-indol-3-yl)-1-phenyl-2-propen-1-one 3-(1H-indol-3-yl)-1-phenyl-2-pro…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 1800 0.42 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) 3.78 9.36 -13 1 2 0 33 247.297 3 ↓

Analogs

4975020
4975020
5362645
5362645
6339378
6339378
32105401
32105401
4795668
4795668

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Popular Name: (2E)-3-Mesityl-1-phenylprop-2-en-1-one (2E)-3-Mesityl-1-phenylprop-2-en…

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Vendors

And 10 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 1410 0.43 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) 4.83 3.04 -7 0 1 0 17 250.341 3 ↓

Analogs

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Popular Name: Chalcone Chalcone

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Vendors

And 60 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-1-E Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic Eukaryotes 1410 0.51 Binding ≤ 10μM
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 1700 0.50 Functional ≤ 10μM
Z50587-3-O Homo Sapiens (cluster #3 Of 9), Other Other 6280 0.46 Functional ≤ 10μM
Z80186-2-O K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other Other 3800 0.47 Functional ≤ 10μM
Z80362-1-O P388 (Lymphoma Cells) (cluster #1 Of 8), Other Other 9630 0.44 Functional ≤ 10μM
Z81051-2-O Human Tumor Cell Lines (cluster #2 Of 2), Other Other 8320 0.44 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) 3.81 9.23 -7.67 0 1 0 17 208.26 3 ↓

Analogs

4276791
4276791
4582976
4582976
4791991
4791991
5201514
5201514
5446624
5446624

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Popular Name: 1-Phenyl-3-p-tolyl-propenone 1-Phenyl-3-p-tolyl-propenone

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And 15 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 2120 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) 4.26 9.91 -7.6 0 1 0 17 222.287 3 ↓

Analogs

4802313
4802313
6338147
6338147
15554583
15554583
4582850
4582850

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Popular Name: 3-(3,4-dichlorophenyl)-1-phenyl-prop-2-en-1-one 3-(3,4-dichlorophenyl)-1-phenyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 2010 0.44 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) 5.09 1.99 -7.28 0 1 0 17 277.15 3 ↓

Parameters Provided:

target.name = Z50422-5-O
target.type = F10
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 'Z50422-5-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z50422-5-O&target.type=F10&filter.purchasability=purchasable

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