UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Ki16425 Ki16425

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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 425 0.28 Binding ≤ 10μM
LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic Eukaryotes 1740 0.25 Binding ≤ 10μM
LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic Eukaryotes 1740 0.25 Binding ≤ 10μM
LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic Eukaryotes 762 0.27 Functional ≤ 10μM
LPAR2-3-E Lysophosphatidic Acid Receptor Edg-4 (cluster #3 Of 4), Eukaryotic Eukaryotes 3384 0.24 Functional ≤ 10μM
LPAR3-3-E Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic Eukaryotes 3384 0.24 Functional ≤ 10μM
Z80390-1-O PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other Other 3384 0.24 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) 4.80 13.28 -48.06 1 7 -1 104 473.958 10 ↓
Hi High (pH 8-9.5) -4.82 -3.88 -40.25 5 8 1 122 272.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ki16425 Ki16425

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

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 425 0.28 Binding ≤ 10μM
LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic Eukaryotes 1740 0.25 Binding ≤ 10μM
LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic Eukaryotes 1740 0.25 Binding ≤ 10μM
LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic Eukaryotes 762 0.27 Functional ≤ 10μM
LPAR2-3-E Lysophosphatidic Acid Receptor Edg-4 (cluster #3 Of 4), Eukaryotic Eukaryotes 3384 0.24 Functional ≤ 10μM
LPAR3-3-E Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic Eukaryotes 3384 0.24 Functional ≤ 10μM
Z80390-1-O PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other Other 3384 0.24 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) 4.80 13.28 -48.01 1 7 -1 104 473.958 10 ↓
Hi High (pH 8-9.5) -4.82 -2.1 -40.24 5 8 1 122 272.281 3 ↓

Parameters Provided:

target.name = LPAR2-3-E
target.type = F10
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 'LPAR2-3-E' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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