UCSF
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Popular Name: DNC006929 DNC006929

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCNE1-2-E G1/S-specific Cyclin E1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.48 Binding ≤ 10μM
CCNE2-2-E G1/S-specific Cyclin E2 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.48 Binding ≤ 10μM
CCNT1-1-E Cyclin T1 (cluster #1 Of 1), Eukaryotic Eukaryotes 350 0.56 Binding ≤ 10μM
CDK2-4-E Cyclin-dependent Kinase 2 (cluster #4 Of 5), Eukaryotic Eukaryotes 3500 0.48 Binding ≤ 10μM
CDK9-2-E Cyclin-dependent Kinase 9 (cluster #2 Of 2), Eukaryotic Eukaryotes 350 0.56 Binding ≤ 10μM
KS6B1-2-E Ribosomal Protein S6 Kinase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 10000 0.44 Binding ≤ 10μM
KS6B2-2-E Ribosomal Protein S6 Kinase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 10000 0.44 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) 1.17 -2.68 -9.08 6 7 0 126 218.22 2 ↓
Ref Reference (pH 7) 1.17 -1.43 -10.95 6 7 0 126 218.22 2 ↓
Hi High (pH 8-9.5) 1.17 -1.91 -46.56 5 7 -1 129 217.212 2 ↓

Parameters Provided:

target.name = CDK9-2-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 'CDK9-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=CDK9-2-E&target.type=B10&filter.purchasability=purchasable

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