UCSF

ZINC00009295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 24 Yes

Popular Name: STO-609 acetate STO-609 acetate

Find On: PubMed — Wikipedia — Google

CAS Number: 52029-86-4

Download: MOL2 SDF SMILES Flexibase

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) 3.74 10.05 -45.77 0 5 -1 75 313.292 1 ↓
Lo Low (pH 4.5-6) 3.74 10.5 -48.09 1 5 0 76 314.3 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AAPK1-1-E AMP-activated Protein Kinase, Alpha-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.40 Binding ≤ 10μM
AAPK2-1-E AMP-activated Protein Kinase, Alpha-2 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.40 Binding ≤ 10μM
CSK21-1-E Casein Kinase II Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 190 0.39 Binding ≤ 10μM
CSK22-1-E Casein Kinase II Alpha (prime) (cluster #1 Of 2), Eukaryotic Eukaryotes 190 0.39 Binding ≤ 10μM
CSK2B-1-E Casein Kinase II Beta (cluster #1 Of 3), Eukaryotic Eukaryotes 190 0.39 Binding ≤ 10μM
DYRK2-1-E Dual-specificity Tyrosine-phosphorylation Regulated Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 950 0.35 Binding ≤ 10μM
E2AK2-1-E Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.41 Binding ≤ 10μM
KKCC1-1-E CaM-kinase Kinase Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.40 Binding ≤ 10μM
KKCC2-2-E CaM-kinase Kinase Beta (cluster #2 Of 2), Eukaryotic Eukaryotes 10 0.47 Binding ≤ 10μM
MKNK1-1-E MAP Kinase-interacting Serine/threonine-protein Kinase MNK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.40 Binding ≤ 10μM
PIM2-2-E Serine/threonine-protein Kinase PIM2 (cluster #2 Of 2), Eukaryotic Eukaryotes 110 0.41 Binding ≤ 10μM
PIM3-1-E Serine/threonine-protein Kinase PIM3 (cluster #1 Of 1), Eukaryotic Eukaryotes 83 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AAPK1_RAT P54645 AMP-activated Protein Kinase, Alpha-1 Subunit, Rat 160 0.40 Binding ≤ 1μM
AAPK2_RAT Q09137 AMP-activated Protein Kinase, Alpha-2 Subunit, Rat 160 0.40 Binding ≤ 1μM
KKCC1_HUMAN Q8N5S9 CaM-kinase Kinase Alpha, Human 120 0.40 Binding ≤ 1μM
KKCC2_HUMAN Q96RR4 CaM-kinase Kinase Beta, Human 10 0.47 Binding ≤ 1μM
CSK21_HUMAN P68400 Casein Kinase II Alpha, Human 190 0.39 Binding ≤ 1μM
CSK22_HUMAN P19784 Casein Kinase II Alpha (prime), Human 190 0.39 Binding ≤ 1μM
CSK2B_HUMAN P67870 Casein Kinase II Beta, Human 190 0.39 Binding ≤ 1μM
DYRK2_HUMAN Q92630 Dual-specificity Tyrosine-phosphorylation Regulated Kinase 2, Human 950 0.35 Binding ≤ 1μM
E2AK2_HUMAN P19525 Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human 100 0.41 Binding ≤ 1μM
MKNK1_HUMAN Q9BUB5 MAP Kinase-interacting Serine/threonine-protein Kinase MNK1, Human 120 0.40 Binding ≤ 1μM
PIM2_HUMAN Q9P1W9 Serine/threonine-protein Kinase PIM2, Human 110 0.41 Binding ≤ 1μM
PIM3_HUMAN Q86V86 Serine/threonine-protein Kinase PIM3, Human 83 0.41 Binding ≤ 1μM
AAPK1_RAT P54645 AMP-activated Protein Kinase, Alpha-1 Subunit, Rat 160 0.40 Binding ≤ 10μM
AAPK2_RAT Q09137 AMP-activated Protein Kinase, Alpha-2 Subunit, Rat 160 0.40 Binding ≤ 10μM
KKCC1_HUMAN Q8N5S9 CaM-kinase Kinase Alpha, Human 120 0.40 Binding ≤ 10μM
KKCC2_HUMAN Q96RR4 CaM-kinase Kinase Beta, Human 10 0.47 Binding ≤ 10μM
CSK21_HUMAN P68400 Casein Kinase II Alpha, Human 190 0.39 Binding ≤ 10μM
CSK22_HUMAN P19784 Casein Kinase II Alpha (prime), Human 190 0.39 Binding ≤ 10μM
CSK2B_HUMAN P67870 Casein Kinase II Beta, Human 190 0.39 Binding ≤ 10μM
DYRK2_HUMAN Q92630 Dual-specificity Tyrosine-phosphorylation Regulated Kinase 2, Human 950 0.35 Binding ≤ 10μM
E2AK2_HUMAN P19525 Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human 100 0.41 Binding ≤ 10μM
MKNK1_HUMAN Q9BUB5 MAP Kinase-interacting Serine/threonine-protein Kinase MNK1, Human 120 0.40 Binding ≤ 10μM
PIM2_HUMAN Q9P1W9 Serine/threonine-protein Kinase PIM2, Human 110 0.41 Binding ≤ 10μM
PIM3_HUMAN Q86V86 Serine/threonine-protein Kinase PIM3, Human 83 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Condensation of Prometaphase Chromosomes
CREB phosphorylation through the activation of CaMKK
Inhibition of PKR
ISG15 antiviral mechanism
Regulation of AMPK activity via LKB1
Regulation of Rheb GTPase activity by AMPK
Signal transduction by L1
Spry regulation of FGF signaling
WNT mediated activation of DVL

Analogs ( Draw Identity 99% 90% 80% 70% )