UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32785912
32785912
36178158
36178158

Draw Identity 99% 90% 80% 70%

Popular Name: Sphingosine 1-phosphate Sphingosine 1-phosphate

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S1PR1-2-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
S1PR1-2-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.46 Binding ≤ 10μM
S1PR1-2-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 9 0.45 Binding ≤ 10μM
S1PR2-1-E Sphingosine 1-phosphate Receptor Edg-5 (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
S1PR2-1-E Sphingosine 1-phosphate Receptor Edg-5 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.45 Binding ≤ 10μM
S1PR3-3-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
S1PR3-3-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic Eukaryotes 2 0.49 Binding ≤ 10μM
S1PR3-3-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic Eukaryotes 9 0.45 Binding ≤ 10μM
S1PR4-2-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.50 Binding ≤ 10μM
S1PR4-2-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #2 Of 2), Eukaryotic Eukaryotes 9 0.45 Binding ≤ 10μM
S1PR4-2-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #2 Of 2), Eukaryotic Eukaryotes 23 0.43 Binding ≤ 10μM
S1PR5-2-E Sphingosine 1-phosphate Receptor Edg-8 (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.49 Binding ≤ 10μM
S1PR5-2-E Sphingosine 1-phosphate Receptor Edg-8 (cluster #2 Of 2), Eukaryotic Eukaryotes 9 0.45 Binding ≤ 10μM
S1PR1-3-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #3 Of 3), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
S1PR3-1-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 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) 4.48 -3.29 -114.81 4 6 -1 120 378.47 17 ↓

Analogs

8860500
8860500

Draw Identity 99% 90% 80% 70%

Popular Name: Sphingosine 1-phosphate Sphingosine 1-phosphate

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S1PR1-2-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
S1PR1-2-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.46 Binding ≤ 10μM
S1PR2-1-E Sphingosine 1-phosphate Receptor Edg-5 (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
S1PR3-3-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
S1PR3-3-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic Eukaryotes 2 0.49 Binding ≤ 10μM
S1PR4-2-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.50 Binding ≤ 10μM
S1PR4-2-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #2 Of 2), Eukaryotic Eukaryotes 23 0.43 Binding ≤ 10μM
S1PR5-2-E Sphingosine 1-phosphate Receptor Edg-8 (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.49 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) 4.48 7.68 -113.24 4 6 -1 120 378.47 17 ↓
Hi High (pH 8-9.5) 4.48 7.4 -130.44 3 6 -2 119 377.462 17 ↓
Lo Low (pH 4.5-6) 4.48 6.53 -52.59 5 6 0 117 379.478 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: FTY-720-P FTY-720-P

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S1PR1-2-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.48 Binding ≤ 10μM
S1PR1-2-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.48 Binding ≤ 10μM
S1PR2-1-E Sphingosine 1-phosphate Receptor Edg-5 (cluster #1 Of 1), Eukaryotic Eukaryotes 1100 0.32 Binding ≤ 10μM
S1PR3-3-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic Eukaryotes 3 0.46 Binding ≤ 10μM
S1PR3-3-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic Eukaryotes 6 0.44 Binding ≤ 10μM
S1PR4-2-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #2 Of 2), Eukaryotic Eukaryotes 19 0.42 Binding ≤ 10μM
S1PR4-2-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #2 Of 2), Eukaryotic Eukaryotes 41 0.40 Binding ≤ 10μM
S1PR5-1-E Sphingosine 1-phosphate Receptor Edg-8 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.46 Binding ≤ 10μM
S1PR5-1-E Sphingosine 1-phosphate Receptor Edg-8 (cluster #1 Of 2), Eukaryotic Eukaryotes 40 0.40 Binding ≤ 10μM
S1PR1-3-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #3 Of 3), Eukaryotic Eukaryotes 1 0.48 Functional ≤ 10μM
S1PR1-3-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #3 Of 3), Eukaryotic Eukaryotes 23 0.41 Functional ≤ 10μM
S1PR3-1-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.43 Functional ≤ 10μM
S1PR3-1-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 29 0.41 Functional ≤ 10μM
S1PR4-1-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.45 Functional ≤ 10μM
S1PR4-1-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.38 Functional ≤ 10μM
S1PR5-1-E Sphingosine 1-phosphate Receptor Edg-8 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.45 Functional ≤ 10μM
S1PR5-1-E Sphingosine 1-phosphate Receptor Edg-8 (cluster #1 Of 1), Eukaryotic Eukaryotes 1988 0.31 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) 4.06 6.88 -118.68 4 6 -1 120 386.449 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: FTY-720-P FTY-720-P

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S1PR1-2-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
S1PR1-2-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.48 Binding ≤ 10μM
S1PR2-1-E Sphingosine 1-phosphate Receptor Edg-5 (cluster #1 Of 1), Eukaryotic Eukaryotes 1100 0.32 Binding ≤ 10μM
S1PR3-3-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic Eukaryotes 6 0.44 Binding ≤ 10μM
S1PR3-3-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic Eukaryotes 6 0.44 Binding ≤ 10μM
S1PR4-2-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #2 Of 2), Eukaryotic Eukaryotes 41 0.40 Binding ≤ 10μM
S1PR5-1-E Sphingosine 1-phosphate Receptor Edg-8 (cluster #1 Of 2), Eukaryotic Eukaryotes 40 0.40 Binding ≤ 10μM
S1PR1-3-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #3 Of 3), Eukaryotic Eukaryotes 1 0.48 Functional ≤ 10μM
S1PR1-3-E Sphingosine 1-phosphate Receptor Edg-1 (cluster #3 Of 3), Eukaryotic Eukaryotes 2 0.47 Functional ≤ 10μM
S1PR3-1-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.46 Functional ≤ 10μM
S1PR3-1-E Sphingosine 1-phosphate Receptor Edg-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.43 Functional ≤ 10μM
S1PR4-1-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.45 Functional ≤ 10μM
S1PR4-1-E Sphingosine 1-phosphate Receptor Edg-6 (cluster #1 Of 1), Eukaryotic Eukaryotes 22 0.41 Functional ≤ 10μM
S1PR5-1-E Sphingosine 1-phosphate Receptor Edg-8 (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
S1PR5-1-E Sphingosine 1-phosphate Receptor Edg-8 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.45 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) 4.06 6.89 -116.88 4 6 -1 120 386.449 14 ↓

Parameters Provided:

target.name = S1PR2-1-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 'S1PR2-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=S1PR2-1-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results