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

Analogs

43379726
43379726
43379728
43379728
14255579
14255579
8860523
8860523

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
Z80156-3-O HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other Other 260 0.26 Functional ≤ 10μM
Z80678-1-O AMML Cell Line (cluster #1 Of 1), Other Other 1350 0.23 Functional ≤ 10μM
Z80777-1-O CML/BC Cell Line (cluster #1 Of 1), Other Other 250 0.26 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) 3.81 18.7 -48.88 0 7 0 77 523.736 27 ↓

Analogs

3978018
3978018
6091575
6091575
6524892
6524892
16969357
16969357
38518590
38518590

Draw Identity 99% 90% 80% 70%

Popular Name: Cytarabine Cytarabine

Find On: PubMed — Wikipedia — Google

Vendors

And 50 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50515-1-O Human Herpesvirus 2 (cluster #1 Of 2), Other Other 2000 0.47 Functional ≤ 10μM
Z50602-2-O Human Herpesvirus 1 (cluster #2 Of 5), Other Other 300 0.54 Functional ≤ 10μM
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 20 0.63 Functional ≤ 10μM
Z80064-1-O CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other Other 90 0.58 Functional ≤ 10μM
Z80067-1-O CCRF-HSB-2 (T-cell Leukemia Cells) (cluster #1 Of 1), Other Other 150 0.56 Functional ≤ 10μM
Z80100-1-O COLO 320 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other Other 40 0.61 Functional ≤ 10μM
Z80156-2-O HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other Other 8000 0.42 Functional ≤ 10μM
Z80164-1-O HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other Other 530 0.52 Functional ≤ 10μM
Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 66 0.59 Functional ≤ 10μM
Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 500 0.52 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 50 0.60 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 100 0.58 Functional ≤ 10μM
Z80224-9-O MCF7 (Breast Carcinoma Cells) (cluster #9 Of 14), Other Other 620 0.51 Functional ≤ 10μM
Z80285-1-O MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #1 Of 4), Other Other 10 0.66 Functional ≤ 10μM
Z80362-6-O P388 (Lymphoma Cells) (cluster #6 Of 8), Other Other 140 0.56 Functional ≤ 10μM
Z80429-1-O RPMI 6410 (cluster #1 Of 1), Other Other 60 0.59 Functional ≤ 10μM
Z80466-1-O SF268 (cluster #1 Of 4), Other Other 7680 0.42 Functional ≤ 10μM
Z80485-1-O SK-MEL-28 (Melanoma Cells) (cluster #1 Of 6), Other Other 1000 0.49 Functional ≤ 10μM
Z80500-1-O SNB-7 (cluster #1 Of 1), Other Other 1000 0.49 Functional ≤ 10μM
Z80678-1-O AMML Cell Line (cluster #1 Of 1), Other Other 2300 0.46 Functional ≤ 10μM
Z80682-1-O A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other Other 1900 0.47 Functional ≤ 10μM
Z80712-2-O T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other Other 2700 0.46 Functional ≤ 10μM
Z80777-1-O CML/BC Cell Line (cluster #1 Of 1), Other Other 210 0.55 Functional ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 24 0.63 Functional ≤ 10μM
Z80928-1-O HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other Other 5300 0.43 Functional ≤ 10μM
Z81020-1-O HepG2 (Hepatoblastoma Cells) (cluster #1 Of 8), Other Other 200 0.55 Functional ≤ 10μM
Z81077-1-O KATO III Cell Line (cluster #1 Of 1), Other Other 300 0.54 Functional ≤ 10μM
Z81115-2-O KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other Other 700 0.51 Functional ≤ 10μM
Z81166-1-O LLC Cell Line (cluster #1 Of 1), Other Other 5600 0.43 Functional ≤ 10μM
Z81192-1-O PC-8 (cluster #1 Of 1), Other Other 1100 0.49 Functional ≤ 10μM
Z81193-1-O PC-9 (cluster #1 Of 1), Other Other 6600 0.43 Functional ≤ 10μM
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 260 0.54 Functional ≤ 10μM
Z81281-1-O NCI-H23 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 5), Other Other 1000 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) -1.93 -7.17 -24.49 5 8 0 131 243.219 2 ↓

Parameters Provided:

target.name = Z80777-1-O
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 'Z80777-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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