UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4521470
4521470
4543724
4543724
4543732
4543732
4544257
4544257
5510396
5510396

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Popular Name: Linoleic acid Linoleic acid

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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 1000 0.42 Binding ≤ 10μM
FABPH-3-E Fatty Acid Binding Protein Muscle (cluster #3 Of 3), Eukaryotic Eukaryotes 1000 0.42 Binding ≤ 10μM
LOX1-3-E Seed Lipoxygenase-1 (cluster #3 Of 3), Eukaryotic Eukaryotes 1000 0.42 Binding ≤ 10μM
FFAR1-1-E Free Fatty Acid Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 540 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) 6.86 13.95 -43.55 0 2 -1 40 279.444 14 ↓
Lo Low (pH 4.5-6) 6.86 11.98 -5.39 1 2 0 37 280.452 14 ↓

Analogs

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Popular Name: 9-Octadecen-1-ol, hydrogen sulfate, sodium salt, (Z)-, mixed with sodium hexadecyl sulfate; LS-97767; Lissapol D; Pansofner F; Pentrone T; Pretepon; Pretepon G 9-Octadecen-1-ol, hydrogen sulfa…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX1-3-E Seed Lipoxygenase-1 (cluster #3 Of 3), Eukaryotic Eukaryotes 700 0.37 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) 5.38 10.3 -39.95 0 4 -1 66 347.541 17 ↓

Parameters Provided:

target.name = LOX1-3-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 'LOX1-3-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=LOX1-3-E&target.type=B10&filter.purchasability=purchasable

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