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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-piperazin-1-yl-3-(4-pyridyl)-2,6-naphthyridine 1-piperazin-1-yl-3-(4-pyridyl)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-5-E Protein Kinase C Alpha (cluster #5 Of 6), Eukaryotic Eukaryotes 1000 0.38 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 31 0.48 Binding ≤ 10μM
PKD1-1-E Polycystin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 59 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PKD1_HUMAN P98161 Polycystin-1, Human 59 0.46 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 1000 0.38 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 31 0.48 Binding ≤ 1μM
PKD1_HUMAN P98161 Polycystin-1, Human 2096 0.36 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 1000 0.38 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 31 0.48 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) 1.08 6.43 -48.36 2 5 1 59 292.366 2 ↓
Hi High (pH 8-9.5) 1.08 5.13 -8.73 1 5 0 54 291.358 2 ↓
Lo Low (pH 4.5-6) 1.08 6.89 -91.5 3 5 2 60 293.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-chloro-4-pyridyl)-1-piperazin-1-yl-2,6-naphthyridine 3-(2-chloro-4-pyridyl)-1-piperaz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-5-E Protein Kinase C Alpha (cluster #5 Of 6), Eukaryotic Eukaryotes 1000 0.37 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 1000 0.37 Binding ≤ 10μM
PKD1-1-E Polycystin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PKD1_HUMAN P98161 Polycystin-1, Human 1000 0.37 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 1000 0.37 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 1000 0.37 Binding ≤ 1μM
PKD1_HUMAN P98161 Polycystin-1, Human 1000 0.37 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 1000 0.37 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 1000 0.37 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) 2.10 6.86 -49.8 2 5 1 59 326.811 2 ↓
Hi High (pH 8-9.5) 2.10 5.56 -7.63 1 5 0 54 325.803 2 ↓

Parameters Provided:

ring.id = 189867
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 = 189867 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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