UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(E)-5-(4-chlorophenyl)-3-keto-2,2-dimethyl-pent-4-enyl]-diethyl-ammonium [(E)-5-(4-chlorophenyl)-3-keto-2…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-4-O L1210 (Lymphocytic Leukemia Cells) (cluster #4 Of 12), Other Other 6390 0.36 Functional ≤ 10μM
Z80362-7-O P388 (Lymphoma Cells) (cluster #7 Of 8), Other Other 2200 0.40 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) 4.45 3.63 -35.32 1 2 1 21 294.846 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl-[(E)-3-keto-5-(p-tolyl)pent-4-enyl]ammonium diethyl-[(E)-3-keto-5-(p-tolyl)p…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80362-7-O P388 (Lymphoma Cells) (cluster #7 Of 8), Other Other 1100 0.46 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) 3.33 3.14 -36.94 1 2 1 21 246.374 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(E)-5-(3,4-dichlorophenyl)-3-keto-pent-4-enyl]-diethyl-ammonium [(E)-5-(3,4-dichlorophenyl)-3-ke…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-3-O Homo Sapiens (cluster #3 Of 9), Other Other 3800 0.40 Functional ≤ 10μM
Z80362-7-O P388 (Lymphoma Cells) (cluster #7 Of 8), Other Other 390 0.47 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) 4.17 2.76 -37.9 1 2 1 21 301.237 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl-[(E)-3-keto-5-phenyl-pent-4-enyl]ammonium diethyl-[(E)-3-keto-5-phenyl-pen…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-3-O Homo Sapiens (cluster #3 Of 9), Other Other 9770 0.41 Functional ≤ 10μM
Z80362-7-O P388 (Lymphoma Cells) (cluster #7 Of 8), Other Other 1700 0.48 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) 2.89 2.82 -36.99 1 2 1 21 232.347 7 ↓

Analogs

16958930
16958930

Draw Identity 99% 90% 80% 70%

Popular Name: NSC 687852 NSC 687852

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 5730 0.24 Functional ≤ 10μM
Z80362-7-O P388 (Lymphoma Cells) (cluster #7 Of 8), Other Other 50 0.33 Functional ≤ 10μM
Z80874-3-O CEM (T-cell Leukemia) (cluster #3 Of 7), Other Other 260 0.30 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) 3.83 3.01 -19.61 0 9 0 129 419.393 5 ↓

Parameters Provided:

target.name = Z80362-7-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 'Z80362-7-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z80362-7-O&target.type=F10&filter.purchasability=purchasable

Embed Link to Results