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: (Z)-2-[(Z)-hexadec-7-enyl]-3-methyl-but-2-enedioic (Z)-2-[(Z)-hexadec-7-enyl]-3-met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FNTA-2-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 190 0.38 Binding ≤ 10μM
FNTB-2-E Protein Farnesyltransferase Beta Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 190 0.38 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) 7.33 14.53 -134.18 0 4 -2 80 350.499 16 ↓

Analogs

12494625
12494625

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Popular Name: 2-cis,6-trans,10-trans-Geranylgeranyl diphosphate 2-cis,6-trans,10-trans-Geranylge…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FNTA-2-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 100 0.34 Binding ≤ 10μM
PGTB1-2-E Geranylgeranyl Transferase Type I Beta Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 100 0.34 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) 5.22 13.15 -248.08 0 7 -3 122 447.425 14 ↓
Mid Mid (pH 6-8) 5.22 11.99 -126.53 1 7 -2 119 448.433 14 ↓

Parameters Provided:

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

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//zinc12.docking.org/results/combination?target.name=FNTA-2-E&target.type=B10&filter.purchasability=purchasable

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