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Analogs

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Popular Name: 1,3-diketo-2-[3-(4-nitrophenoxy)phenyl]isoindoline-5-carboxylate 1,3-diketo-2-[3-(4-nitrophenoxy)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 48 0.34 Binding ≤ 10μM
LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic Eukaryotes 230 0.31 Binding ≤ 10μM
LPAR5-1-E Lysophosphatidic Acid Receptor 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 292 0.30 Binding ≤ 10μM
LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic Eukaryotes 94 0.33 Functional ≤ 10μM
LPAR3-3-E Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic Eukaryotes 752 0.29 Functional ≤ 10μM
LPAR5-2-E Lysophosphatidic Acid Receptor 5 (cluster #2 Of 2), Eukaryotic Eukaryotes 463 0.30 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) 4.59 2.17 -46.27 0 9 -1 134 403.326 5 ↓

Analogs

14953257
14953257
14953268
14953268

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Popular Name: PA(18:1(9Z)/0:0) PA(18:1(9Z)/0:0)

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-2-E Autotaxin (cluster #2 Of 2), Eukaryotic Eukaryotes 442 0.31 Binding ≤ 10μM
LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 4), Eukaryotic Eukaryotes 31 0.36 Functional ≤ 10μM
LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 4), Eukaryotic Eukaryotes 7 0.39 Functional ≤ 10μM
LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 3), Eukaryotic Eukaryotes 263 0.32 Functional ≤ 10μM
LPAR5-1-E Lysophosphatidic Acid Receptor 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 12 0.38 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) 5.95 11.88 -133.15 1 7 -2 119 434.51 21 ↓
Mid Mid (pH 6-8) 5.95 10.72 -45.25 2 7 -1 116 435.518 21 ↓

Parameters Provided:

annotation.name = LPAR5_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'LPAR5\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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