UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8220929
8220929
16889837
16889837
40164424
40164424
40164425
40164425
40164426
40164426

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Popular Name: raffinose raffinose

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CDK1-2-E Cyclin-dependent Kinase 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 150 0.28 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) -4.90 -23 -18.75 11 16 0 269 504.438 8 ↓

Analogs

16889837
16889837
6920405
6920405

Draw Identity 99% 90% 80% 70%

Popular Name: Raffinose Raffinose

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CDK1-2-E Cyclin-dependent Kinase 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 150 0.28 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) -4.90 -22.11 -18.64 11 16 0 269 504.438 8 ↓

Analogs

16889837
16889837
6920405
6920405

Draw Identity 99% 90% 80% 70%

Popular Name: Raffinose Raffinose

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CDK1-2-E Cyclin-dependent Kinase 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 150 0.28 Binding ≤ 10μM
Z81034-2-O A2780 (Ovarian Carcinoma Cells) (cluster #2 Of 10), Other Other 60 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) -4.90 -22.23 -17.5 11 16 0 269 504.438 8 ↓

Analogs

16889837
16889837
6920405
6920405

Draw Identity 99% 90% 80% 70%

Popular Name: Raffinose Raffinose

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CDK1-2-E Cyclin-dependent Kinase 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 150 0.28 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) -4.90 -22.38 -18.14 11 16 0 269 504.438 8 ↓

Parameters Provided:

target.name = CDK1-2-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 'CDK1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=CDK1-2-E&target.type=B10&filter.purchasability=purchasable

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