UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14285761
14285761

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-hexadecyl-1,5,5-trimethyl-2,8-dioxa-5-azonia-1$l^{5}-phosphacyclooctane (1S,3R)-3-hexadecyl-1,5,5-trimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-3-E Protein Kinase C Alpha (cluster #3 Of 6), Eukaryotic Eukaryotes 4800 0.27 Binding ≤ 10μM
KPCB-4-E Protein Kinase C Beta (cluster #4 Of 4), Eukaryotic Eukaryotes 4800 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_MOUSE P20444 Protein Kinase C Alpha, Mouse 4800 0.27 Binding ≤ 10μM
KPCB_MOUSE P68404 Protein Kinase C Beta, Mouse 4800 0.27 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) 3.51 17.36 -44.71 0 4 1 36 418.623 15 ↓

Analogs

14285761
14285761

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-hexadecyl-1,5,5-trimethyl-2,8-dioxa-5-azonia-1$l^{5}-phosphacyclooctane (1R,3R)-3-hexadecyl-1,5,5-trimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-3-E Protein Kinase C Alpha (cluster #3 Of 6), Eukaryotic Eukaryotes 9900 0.25 Binding ≤ 10μM
KPCB-4-E Protein Kinase C Beta (cluster #4 Of 4), Eukaryotic Eukaryotes 9900 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_MOUSE P20444 Protein Kinase C Alpha, Mouse 9900 0.25 Binding ≤ 10μM
KPCB_MOUSE P68404 Protein Kinase C Beta, Mouse 9900 0.25 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) 3.51 17.41 -43.96 0 4 1 36 418.623 15 ↓

Parameters Provided:

ring.id = 93447
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 = 93447 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=93447&filter.purchasability=annotated

Embed Link to Results