UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34974030
34974030
70515959
70515959
70515960
70515960

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Popular Name: DNC005041 DNC005041

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-2-E Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic Eukaryotes 800 0.43 Binding ≤ 10μM
FABP5-2-E Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 0.39 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) 3.83 10.58 -48.79 0 3 -1 45 266.32 5 ↓

Analogs

34925820
34925820
34925821
34925821

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Popular Name: DNC005040 DNC005040

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 570 0.46 Binding ≤ 10μM
FABP5-2-E Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic Eukaryotes 6700 0.38 Binding ≤ 10μM
FABPH-2-E Fatty Acid Binding Protein Muscle (cluster #2 Of 3), Eukaryotic Eukaryotes 600 0.46 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) 3.32 9.79 -51.27 0 3 -1 45 252.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: palmitic acid palmitic acid

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Vendors

And 25 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-2-E Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic Eukaryotes 930 0.47 Binding ≤ 10μM
FABP5-2-E Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic Eukaryotes 802 0.47 Binding ≤ 10μM
FABPH-3-E Fatty Acid Binding Protein Muscle (cluster #3 Of 3), Eukaryotic Eukaryotes 2600 0.43 Binding ≤ 10μM
FABPI-2-E Fatty Acid Binding Protein Intestinal (cluster #2 Of 3), Eukaryotic Eukaryotes 1700 0.45 Binding ≤ 10μM
TLR2-1-E Toll-like Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 5000 0.41 Functional ≤ 10μM
Z80548-2-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 5), Other Other 5000 0.41 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) 7.06 2.36 -44.91 0 2 -1 40 255.422 14 ↓

Analogs

33822153
33822153
4529321
4529321

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Popular Name: oleic acid oleic acid

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Vendors

And 18 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-4-E Anandamide Amidohydrolase (cluster #4 Of 7), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
FABP4-2-E Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic Eukaryotes 185 0.47 Binding ≤ 10μM
FABP5-2-E Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic Eukaryotes 248 0.46 Binding ≤ 10μM
FABPL-1-E Fatty Acid-binding Protein, Liver (cluster #1 Of 4), Eukaryotic Eukaryotes 900 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) 7.58 13.34 -45.08 0 2 -1 40 281.46 15 ↓

Parameters Provided:

target.name = FABP5-2-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 'FABP5-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=FABP5-2-E&target.type=B10&filter.purchasability=purchasable

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