UCSF

ZINC04793192

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 17 No

Popular Name: TG 003 TG 003

Find On: PubMed — Wikipedia — Google

CAS Numbers: 300801-52-9 , 719277-26-6

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) 2.55 7.05 -9.83 0 3 0 31 249.335 3 ↓

Vendor Notes

Note Type Comments Provided By
Target CDK Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CLK1-1-E Dual Specificty Protein Kinase CLK1 (cluster #1 Of 2), Eukaryotic Eukaryotes 19 0.64 Binding ≤ 10μM
CLK2-1-E Dual Specificity Protein Kinase CLK2 (cluster #1 Of 2), Eukaryotic Eukaryotes 95 0.58 Binding ≤ 10μM
CLK3-1-E Dual Specificity Protein Kinase CLK3 (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.45 Binding ≤ 10μM
CLK4-1-E Dual Specificity Protein Kinase CLK4 (cluster #1 Of 2), Eukaryotic Eukaryotes 30 0.62 Binding ≤ 10μM
DYR1A-3-E Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (cluster #3 Of 3), Eukaryotic Eukaryotes 12 0.65 Binding ≤ 10μM
DYR1B-1-E Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1B (cluster #1 Of 1), Eukaryotic Eukaryotes 130 0.57 Binding ≤ 10μM
KC1D-1-E Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.56 Binding ≤ 10μM
KC1E-1-E Casein Kinase I Epsilon (cluster #1 Of 2), Eukaryotic Eukaryotes 300 0.54 Binding ≤ 10μM
KC1G2-1-E Casein Kinase I Gamma 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.54 Binding ≤ 10μM
KC1G3-1-E Casein Kinase I Isoform Gamma-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 290 0.54 Binding ≤ 10μM
PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 130 0.57 Binding ≤ 10μM
PIM3-1-E Serine/threonine-protein Kinase PIM3 (cluster #1 Of 1), Eukaryotic Eukaryotes 280 0.54 Binding ≤ 10μM
YSK4-1-E SPS1/STE20-related Protein Kinase YSK4 (cluster #1 Of 1), Eukaryotic Eukaryotes 290 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KC1D_HUMAN P48730 Casein Kinase I Delta, Human 150 0.56 Binding ≤ 1μM
KC1E_HUMAN P49674 Casein Kinase I Epsilon, Human 300 0.54 Binding ≤ 1μM
KC1G2_HUMAN P78368 Casein Kinase I Gamma 2, Human 270 0.54 Binding ≤ 1μM
KC1G3_HUMAN Q9Y6M4 Casein Kinase I Isoform Gamma-3, Human 290 0.54 Binding ≤ 1μM
CLK1_MOUSE P22518 Dual Specificity Protein Kinase CLK1, Mouse 10 0.66 Binding ≤ 1μM
CLK2_MOUSE O35491 Dual Specificity Protein Kinase CLK2, Mouse 200 0.55 Binding ≤ 1μM
CLK2_HUMAN P49760 Dual Specificity Protein Kinase CLK2, Human 95 0.58 Binding ≤ 1μM
CLK4_HUMAN Q9HAZ1 Dual Specificity Protein Kinase CLK4, Human 30 0.62 Binding ≤ 1μM
CLK4_MOUSE O35493 Dual Specificity Protein Kinase CLK4, Mouse 15 0.64 Binding ≤ 1μM
DYR1B_HUMAN Q9Y463 Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1B, Human 130 0.57 Binding ≤ 1μM
CLK1_HUMAN P49759 Dual Specificty Protein Kinase CLK1, Human 19 0.64 Binding ≤ 1μM
DYR1A_HUMAN Q13627 Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human 12 0.65 Binding ≤ 1μM
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 130 0.57 Binding ≤ 1μM
PIM3_HUMAN Q86V86 Serine/threonine-protein Kinase PIM3, Human 280 0.54 Binding ≤ 1μM
YSK4_HUMAN Q56UN5 SPS1/STE20-related Protein Kinase YSK4, Human 290 0.54 Binding ≤ 1μM
KC1D_HUMAN P48730 Casein Kinase I Delta, Human 150 0.56 Binding ≤ 10μM
KC1E_HUMAN P49674 Casein Kinase I Epsilon, Human 300 0.54 Binding ≤ 10μM
KC1G2_HUMAN P78368 Casein Kinase I Gamma 2, Human 270 0.54 Binding ≤ 10μM
KC1G3_HUMAN Q9Y6M4 Casein Kinase I Isoform Gamma-3, Human 290 0.54 Binding ≤ 10μM
CLK1_MOUSE P22518 Dual Specificity Protein Kinase CLK1, Mouse 10 0.66 Binding ≤ 10μM
CLK2_HUMAN P49760 Dual Specificity Protein Kinase CLK2, Human 95 0.58 Binding ≤ 10μM
CLK2_MOUSE O35491 Dual Specificity Protein Kinase CLK2, Mouse 200 0.55 Binding ≤ 10μM
CLK3_HUMAN P49761 Dual Specificity Protein Kinase CLK3, Human 3000 0.45 Binding ≤ 10μM
CLK4_HUMAN Q9HAZ1 Dual Specificity Protein Kinase CLK4, Human 30 0.62 Binding ≤ 10μM
CLK4_MOUSE O35493 Dual Specificity Protein Kinase CLK4, Mouse 15 0.64 Binding ≤ 10μM
DYR1B_HUMAN Q9Y463 Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1B, Human 130 0.57 Binding ≤ 10μM
CLK1_HUMAN P49759 Dual Specificty Protein Kinase CLK1, Human 19 0.64 Binding ≤ 10μM
DYR1A_HUMAN Q13627 Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human 12 0.65 Binding ≤ 10μM
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 130 0.57 Binding ≤ 10μM
PIM3_HUMAN Q86V86 Serine/threonine-protein Kinase PIM3, Human 280 0.54 Binding ≤ 10μM
YSK4_HUMAN Q56UN5 SPS1/STE20-related Protein Kinase YSK4, Human 290 0.54 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Circadian Clock
disassembly of the destruction complex and recruitment of AXIN to the membrane
G0 and Early G1
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
Recruitment of mitotic centrosome proteins and complexes
Regulation of PLK1 Activity at G2/M Transition
Sphingolipid de novo biosynthesis
WNT mediated activation of DVL

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