UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43199871
43199871

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Popular Name: (3R)-6,6-dimethyl-3-[5-methyl-3-oxo-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1-phenyl-3-(trif (3R)-6,6-dimethyl-3-[5-methyl-3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ELOV3-1-E Elongation Of Very Long Chain Fatty Acids Protein 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 337 0.22 Binding ≤ 10μM
ELOV6-1-E Elongation Of Very Long Chain Fatty Acids Protein 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.27 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) 5.40 14.04 -22.3 1 7 0 84 579.497 6 ↓

Analogs

43199870
43199870

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Popular Name: (3S)-6,6-dimethyl-3-[5-methyl-3-oxo-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1-phenyl-3-(trif (3S)-6,6-dimethyl-3-[5-methyl-3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ELOV3-1-E Elongation Of Very Long Chain Fatty Acids Protein 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 337 0.22 Binding ≤ 10μM
ELOV6-1-E Elongation Of Very Long Chain Fatty Acids Protein 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.27 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) 5.40 12.79 -32.4 1 7 0 84 579.497 6 ↓

Analogs

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Popular Name: 4-fluoro-N-[[(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzam 4-fluoro-N-[[(4S)-2-oxo-6-(1H-py…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ELOV1-1-E Elongation Of Very Long Chain Fatty Acids Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.23 Binding ≤ 10μM
ELOV3-1-E Elongation Of Very Long Chain Fatty Acids Protein 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 130 0.31 Binding ≤ 10μM
ELOV6-1-E Elongation Of Very Long Chain Fatty Acids Protein 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.38 Binding ≤ 10μM
ELOV6-1-E Elongation Of Very Long Chain Fatty Acids Protein 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 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) 3.42 5.62 -17.13 3 7 0 96 434.349 5 ↓

Analogs

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Popular Name: 3-(Pyridin-2-ylsulfonyl)-N-(4-(trifluoromethyl)phenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide 3-(Pyridin-2-ylsulfonyl)-N-(4-(t…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ELOV3-1-E Elongation Of Very Long Chain Fatty Acids Protein 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 6940 0.24 Binding ≤ 10μM
ELOV6-1-E Elongation Of Very Long Chain Fatty Acids Protein 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 79 0.33 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) 3.55 6.95 -22.68 1 6 0 79 439.459 4 ↓

Parameters Provided:

target.name = ELOV3-1-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 'ELOV3-1-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=ELOV3-1-E&target.type=B10&filter.purchasability=purchasable

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