UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8860523
8860523
14255579
14255579
17654196
17654196
38143169
38143169
43379726
43379726

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Popular Name: LS-53244 LS-53244

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 1800 0.23 Functional ≤ 10μM
Z50417-1-O Leishmania Infantum (cluster #1 Of 4), Other Other 820 0.24 Functional ≤ 10μM
Z50607-9-O Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other Other 920 0.24 Functional ≤ 10μM
Z80156-3-O HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other Other 260 0.26 Functional ≤ 10μM
Z80156-3-O HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other Other 6100 0.21 Functional ≤ 10μM
Z80166-2-O HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other Other 2000 0.23 Functional ≤ 10μM
Z80186-3-O K562 (Erythroleukemia Cells) (cluster #3 Of 11), Other Other 6100 0.21 Functional ≤ 10μM
Z80678-1-O AMML Cell Line (cluster #1 Of 1), Other Other 1350 0.23 Functional ≤ 10μM
Z80678-1-O AMML Cell Line (cluster #1 Of 1), Other Other 3300 0.22 Functional ≤ 10μM
Z80777-1-O CML/BC Cell Line (cluster #1 Of 1), Other Other 250 0.26 Functional ≤ 10μM
Z80777-1-O CML/BC Cell Line (cluster #1 Of 1), Other Other 1500 0.23 Functional ≤ 10μM
Z81245-2-O MDA-MB-435 (Breast Carcinoma Cells) (cluster #2 Of 6), Other Other 3000 0.22 Functional ≤ 10μM
Z81252-2-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #2 Of 11), Other Other 5000 0.21 Functional ≤ 10μM
Z80548-1-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 4), Other Other 4960 0.21 ADME/T ≤ 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) 3.81 18.9 -48.04 0 7 0 77 523.736 27 ↓

Analogs

17654196
17654196
38143169
38143169
43379726
43379726
43379728
43379728
8195621
8195621

Draw Identity 99% 90% 80% 70%

Popular Name: LS-53244 LS-53244

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 1800 0.23 Functional ≤ 10μM
Z50417-1-O Leishmania Infantum (cluster #1 Of 4), Other Other 820 0.24 Functional ≤ 10μM
Z50607-9-O Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other Other 920 0.24 Functional ≤ 10μM
Z80156-3-O HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other Other 260 0.26 Functional ≤ 10μM
Z80156-3-O HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other Other 6100 0.21 Functional ≤ 10μM
Z80166-2-O HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other Other 2000 0.23 Functional ≤ 10μM
Z80186-3-O K562 (Erythroleukemia Cells) (cluster #3 Of 11), Other Other 6100 0.21 Functional ≤ 10μM
Z80678-1-O AMML Cell Line (cluster #1 Of 1), Other Other 1350 0.23 Functional ≤ 10μM
Z80678-1-O AMML Cell Line (cluster #1 Of 1), Other Other 3300 0.22 Functional ≤ 10μM
Z80777-1-O CML/BC Cell Line (cluster #1 Of 1), Other Other 250 0.26 Functional ≤ 10μM
Z80777-1-O CML/BC Cell Line (cluster #1 Of 1), Other Other 1500 0.23 Functional ≤ 10μM
Z81245-2-O MDA-MB-435 (Breast Carcinoma Cells) (cluster #2 Of 6), Other Other 3000 0.22 Functional ≤ 10μM
Z81252-2-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #2 Of 11), Other Other 5000 0.21 Functional ≤ 10μM
Z80548-1-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 4), Other Other 4960 0.21 ADME/T ≤ 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

Parameters Provided:

target.name = Z80548-1-O
target.type = A10
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 'Z80548-1-O' AND t.atype_fk = 4 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z80548-1-O&target.type=A10&filter.purchasability=purchasable

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