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Popular Name: 4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-piperazin-1-ylpyrazin-2-yl)pyrimidin-2-amine 4-(5-chloro-3-isopropyl-1H-pyraz…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCNA1-1-E Cyclin A1 (cluster #1 Of 3), Eukaryotic Eukaryotes 1081 0.30 Binding ≤ 10μM
CCNA2-1-E Cyclin A2 (cluster #1 Of 3), Eukaryotic Eukaryotes 1081 0.30 Binding ≤ 10μM
CDK2-1-E Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic Eukaryotes 1081 0.30 Binding ≤ 10μM
Z104295-1-O Cyclin-dependent Kinase 4/cyclin D1 (cluster #1 Of 2), Other Other 58 0.36 Binding ≤ 10μM
Z104296-1-O Cyclin-dependent Kinase 1/cyclin B1 (cluster #1 Of 2), Other Other 3165 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104295 Z104295 Cyclin-dependent Kinase 4/cyclin D1 58 0.36 Binding ≤ 1μM
CCNA1_HUMAN P78396 Cyclin A1, Human 1081 0.30 Binding ≤ 10μM
CCNA2_HUMAN P20248 Cyclin A2, Human 1081 0.30 Binding ≤ 10μM
Z104296 Z104296 Cyclin-dependent Kinase 1/cyclin B1 3165 0.27 Binding ≤ 10μM
CDK2_HUMAN P24941 Cyclin-dependent Kinase 2, Human 1081 0.30 Binding ≤ 10μM
Z104295 Z104295 Cyclin-dependent Kinase 4/cyclin D1 58 0.36 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) 2.33 8.56 -50.46 4 9 1 112 400.898 5 ↓
Hi High (pH 8-9.5) 2.33 7.28 -10.93 3 9 0 108 399.89 5 ↓

Parameters Provided:

ring.id = 365949
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 365949 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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