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Popular Name: hydroxymethyl-dimethyl-(4-phenylbutyl)BLAHdione hydroxymethyl-dimethyl-(4-phenyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 120 0.28 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 140 0.28 Binding ≤ 10μM
KPCD-2-E Protein Kinase C Delta (cluster #2 Of 4), Eukaryotic Eukaryotes 10 0.33 Binding ≤ 10μM
KPCE-2-E Protein Kinase C Epsilon (cluster #2 Of 5), Eukaryotic Eukaryotes 37 0.31 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 80 0.29 Binding ≤ 10μM
KPCL-1-E Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic Eukaryotes 12 0.33 Binding ≤ 10μM
KPCT-2-E Protein Kinase C Theta (cluster #2 Of 3), Eukaryotic Eukaryotes 8 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 120 0.28 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 140 0.28 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 130 0.28 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 37 0.31 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 12 0.33 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 80 0.29 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 8.1 0.33 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 120 0.28 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 140 0.28 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 130 0.28 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 37 0.31 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 12 0.33 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 80 0.29 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 8.1 0.33 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) 4.21 13.74 -10.5 1 7 0 91 474.594 6 ↓

Parameters Provided:

ring.id = 369208
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 = 369208 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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