UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8860450
8860450
8860452
8860452
12496551
12496551
4095813
4095813
4543697
4543697

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Popular Name: Leukotriene B4 Leukotriene B4

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LT4R1-2-E Leukotriene B4 Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 32 0.44 Binding ≤ 10μM
LT4R2-2-E Leukotriene B4 Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 2 0.51 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) 4.35 8.63 -49.42 2 4 -1 81 335.464 14 ↓

Analogs

4489632
4489632
13704101
13704101
34131929
34131929
34131931
34131931
3786354
3786354

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Popular Name: U-75302 U-75302

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LT4R1-2-E Leukotriene B4 Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 700 0.33 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) 4.16 5.68 -8.8 3 4 0 74 361.526 14 ↓
Lo Low (pH 4.5-6) 4.16 5.94 -34.65 4 4 1 75 362.534 14 ↓

Parameters Provided:

target.name = LT4R1-2-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 'LT4R1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=LT4R1-2-E&target.type=B10&filter.purchasability=purchasable

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