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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: Alpha-hydroxyfarnesylphosphonic acid Alpha-hydroxyfarnesylphosphonic …

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-3-E Squalene Synthetase (cluster #3 Of 4), Eukaryotic Eukaryotes 2300 0.39 Binding ≤ 10μM
FNTA-2-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.58 Binding ≤ 10μM
FNTB-2-E Protein Farnesyltransferase Beta Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.58 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) 3.76 4.93 -45.96 2 4 -1 81 301.343 8 ↓

Analogs

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Popular Name: ¦Á-Hydroxyfarnesyl-phosphonicacid ¦Á-Hydroxyfarnesyl-phosphonicacid

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-3-E Squalene Synthetase (cluster #3 Of 4), Eukaryotic Eukaryotes 2300 0.39 Binding ≤ 10μM
FNTA-2-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.58 Binding ≤ 10μM
FNTB-2-E Protein Farnesyltransferase Beta Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.58 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) 3.76 4.94 -47.26 2 4 -1 81 301.343 8 ↓

Analogs

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Popular Name: N-(1-azabicyclo[2.2.2]oct-3-yl)-N-([1,1'-biphenyl]-4-ylmethyl)amine N-(1-azabicyclo[2.2.2]oct-3-yl)-…

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And 9 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-3-E Squalene Synthetase (cluster #3 Of 4), Eukaryotic Eukaryotes 140 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) 3.94 10.16 -38.13 2 2 1 16 293.434 4 ↓

Analogs

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Popular Name: N-(1-azabicyclo[2.2.2]oct-3-yl)-N-([1,1'-biphenyl]-4-ylmethyl)amine N-(1-azabicyclo[2.2.2]oct-3-yl)-…

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And 9 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-3-E Squalene Synthetase (cluster #3 Of 4), Eukaryotic Eukaryotes 140 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) 3.94 10.24 -35.54 2 2 1 16 293.434 4 ↓

Analogs

12494630
12494630
12495043
12495043
12495048
12495048
16343477
16343477
24973143
24973143

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Popular Name: farnesyl pyrophosphate farnesyl pyrophosphate

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-3-E Squalene Synthetase (cluster #3 Of 4), Eukaryotic Eukaryotes 2600 0.33 Binding ≤ 10μM
FNTA-2-F Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #2 Of 2), Fungal Fungi 75 0.42 Binding ≤ 10μM
FNTB-2-F Protein Farnesyltransferase Beta Subunit (cluster #2 Of 2), Fungal Fungi 75 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) 3.37 9.67 -242.08 0 7 -3 122 379.306 11 ↓
Mid Mid (pH 6-8) 3.37 8.53 -122.03 1 7 -2 119 380.314 11 ↓

Parameters Provided:

target.name = FDFT-3-E
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 'FDFT-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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