UCSF
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Popular Name: 5-[(E)-2-[6-[(4-hydroxy-1-piperidyl)methyl]-2-pyridyl]vinyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridi 5-[(E)-2-[6-[(4-hydroxy-1-piperi…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 43 0.29 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 43 0.29 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 2.1 0.35 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 43 0.29 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 2.1 0.35 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) 2.86 10.63 -46.16 4 7 1 102 465.581 6 ↓

Parameters Provided:

ring.id = 543627
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 = 543627 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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