UCSF

ZINC13816313

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 18 Yes

Popular Name: CGP 57380 CGP 57380

Find On: PubMed — Wikipedia — Google

CAS Number: 522629-08-9

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) 1.90 5.16 -9.26 4 6 0 93 244.233 2 ↓

Vendor Notes

Note Type Comments Provided By
Target MNK Selleck Chemicals
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
E2AK2-1-E Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.41 Binding ≤ 10μM
MKNK1-1-E MAP Kinase-interacting Serine/threonine-protein Kinase MNK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 870 0.47 Binding ≤ 10μM
MKNK2-1-E MAP Kinase Signal-integrating Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 1600 0.45 Binding ≤ 10μM
SGK1-1-E Serine/threonine-protein Kinase Sgk1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2700 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MKNK1_HUMAN Q9BUB5 MAP Kinase-interacting Serine/threonine-protein Kinase MNK1, Human 870 0.47 Binding ≤ 1μM
E2AK2_HUMAN P19525 Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human 5000 0.41 Binding ≤ 10μM
MKNK2_HUMAN Q9HBH9 MAP Kinase Signal-integrating Kinase 2, Human 1600 0.45 Binding ≤ 10μM
MKNK1_HUMAN Q9BUB5 MAP Kinase-interacting Serine/threonine-protein Kinase MNK1, Human 870 0.47 Binding ≤ 10μM
SGK1_HUMAN O00141 Serine/threonine-protein Kinase Sgk1, Human 2700 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inhibition of PKR
ISG15 antiviral mechanism
Spry regulation of FGF signaling
Stimuli-sensing channels

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