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Popular Name: N-[(1S)-2-[[(1S)-1-[[(1R,2S)-2-(3-chlorophenyl)cyclohexyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl- N-[(1S)-2-[[(1S)-1-[[(1R,2S)-2-(…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCNA1-2-E Cyclin A1 (cluster #2 Of 3), Eukaryotic Eukaryotes 251 0.22 Binding ≤ 10μM
CCNA2-2-E Cyclin A2 (cluster #2 Of 3), Eukaryotic Eukaryotes 251 0.22 Binding ≤ 10μM
CDK2-3-E Cyclin-dependent Kinase 2 (cluster #3 Of 5), Eukaryotic Eukaryotes 251 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CCNA1_HUMAN P78396 Cyclin A1, Human 251 0.22 Binding ≤ 1μM
CCNA2_HUMAN P20248 Cyclin A2, Human 251 0.22 Binding ≤ 1μM
CDK2_HUMAN P24941 Cyclin-dependent Kinase 2, Human 251 0.22 Binding ≤ 1μM
CCNA1_HUMAN P78396 Cyclin A1, Human 251 0.22 Binding ≤ 10μM
CCNA2_HUMAN P20248 Cyclin A2, Human 251 0.22 Binding ≤ 10μM
CDK2_HUMAN P24941 Cyclin-dependent Kinase 2, Human 251 0.22 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) 5.82 13.13 -48.73 5 7 1 104 596.236 11 ↓

Parameters Provided:

ring.id = 73830
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 = 73830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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