UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36178968
36178968
36178975
36178975
38594934
38594934
39337603
39337603
39337614
39337614

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Popular Name: 1-Decanephosphonic acid 1-Decanephosphonic acid

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1500 0.58 Binding ≤ 10μM
LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic Eukaryotes 1500 0.58 Binding ≤ 10μM
LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic Eukaryotes 680 0.62 Binding ≤ 10μM
LPAR1-3-E Lysophosphatidic Acid Receptor Edg-2 (cluster #3 Of 4), Eukaryotic Eukaryotes 3122 0.55 Functional ≤ 10μM
LPAR2-2-E Lysophosphatidic Acid Receptor Edg-4 (cluster #2 Of 4), Eukaryotic Eukaryotes 3122 0.55 Functional ≤ 10μM
LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 3), Eukaryotic Eukaryotes 3122 0.55 Functional ≤ 10μM
Z80390-7-O PC-3 (Prostate Carcinoma Cells) (cluster #7 Of 10), Other Other 3122 0.55 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) 3.52 5.64 -38.26 1 3 -1 60 221.257 9 ↓
Hi High (pH 8-9.5) 3.52 6.75 -123.3 0 3 -2 63 220.249 9 ↓

Analogs

38594934
38594934
39337603
39337603
39337614
39337614
39337622
39337622
43481723
43481723

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Popular Name: Tetradecyl Phosphonate Tetradecyl Phosphonate

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 2), Eukaryotic Eukaryotes 4620 0.41 Binding ≤ 10μM
LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic Eukaryotes 4620 0.41 Binding ≤ 10μM
LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic Eukaryotes 4620 0.41 Binding ≤ 10μM
LPAR1-3-E Lysophosphatidic Acid Receptor Edg-2 (cluster #3 Of 4), Eukaryotic Eukaryotes 9674 0.39 Functional ≤ 10μM
LPAR2-2-E Lysophosphatidic Acid Receptor Edg-4 (cluster #2 Of 4), Eukaryotic Eukaryotes 9674 0.39 Functional ≤ 10μM
LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 3), Eukaryotic Eukaryotes 9674 0.39 Functional ≤ 10μM
Z80390-7-O PC-3 (Prostate Carcinoma Cells) (cluster #7 Of 10), Other Other 9674 0.39 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) 5.55 8.76 -38.27 1 3 -1 60 277.365 13 ↓
Hi High (pH 8-9.5) 5.55 9.88 -123.34 0 3 -2 63 276.357 13 ↓

Analogs

36178975
36178975
38594934
38594934
39337603
39337603
39337614
39337614
39337622
39337622

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Popular Name: n-Dodecanephosphonic acid n-Dodecanephosphonic acid

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1270 0.52 Binding ≤ 10μM
LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic Eukaryotes 1270 0.52 Binding ≤ 10μM
LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic Eukaryotes 303 0.57 Binding ≤ 10μM
LPAR1-3-E Lysophosphatidic Acid Receptor Edg-2 (cluster #3 Of 4), Eukaryotic Eukaryotes 2638 0.49 Functional ≤ 10μM
LPAR2-2-E Lysophosphatidic Acid Receptor Edg-4 (cluster #2 Of 4), Eukaryotic Eukaryotes 2638 0.49 Functional ≤ 10μM
LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 3), Eukaryotic Eukaryotes 654 0.54 Functional ≤ 10μM
Z80390-7-O PC-3 (Prostate Carcinoma Cells) (cluster #7 Of 10), Other Other 2638 0.49 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) 4.53 7.2 -38.25 1 3 -1 60 249.311 11 ↓
Hi High (pH 8-9.5) 4.53 8.32 -123.32 0 3 -2 63 248.303 11 ↓

Parameters Provided:

target.name = LPAR1-2-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 'LPAR1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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