UCSF
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Popular Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile 4-[(4-methyl-1H-indol-5-yl)amino…

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Activity (Go SEA)

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 28 0.32 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 5 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 28 0.32 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 4.5 0.35 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 28 0.32 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 4.5 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) 5.38 13.15 -41.98 3 6 1 78 438.555 7 ↓
Hi High (pH 8-9.5) 5.38 10.63 -11.43 2 6 0 77 437.547 7 ↓

Parameters Provided:

ring.id = 519553
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 = 519553 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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