UCSF

ZINC64539295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 23 Yes

Popular Name: 4-[[5-(6-oxo-1H-pyridin-3-yl)oxazol-2-yl]amino]benzenesulfonamide 4-[[5-(6-oxo-1H-pyridin-3-yl)oxa…

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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) 1.55 -1.21 -19.88 4 8 0 131 332.341 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AAKB1-1-E AMP-activated Protein Kinase, Beta-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.32 Binding ≤ 10μM
AAKG1-1-E AMP-activated Protein Kinase, Gamma-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.32 Binding ≤ 10μM
AAPK2-1-E AMP-activated Protein Kinase, Alpha-2 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.32 Binding ≤ 10μM
EPHA2-1-E Ephrin Type-A Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5600 0.32 Binding ≤ 10μM
FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.42 Binding ≤ 10μM
MKNK1-1-E MAP Kinase-interacting Serine/threonine-protein Kinase MNK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1100 0.36 Binding ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 8200 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 120 0.42 Binding ≤ 1μM
AAPK2_HUMAN P54646 AMP-activated Protein Kinase, Alpha-2 Subunit, Human 5000 0.32 Binding ≤ 10μM
AAKB1_HUMAN Q9Y478 AMP-activated Protein Kinase, Beta-1 Subunit, Human 5000 0.32 Binding ≤ 10μM
AAKG1_HUMAN P54619 AMP-activated Protein Kinase, Gamma-1 Subunit, Human 5000 0.32 Binding ≤ 10μM
EPHA2_HUMAN P29317 Ephrin Type-A Receptor 2, Human 5600 0.32 Binding ≤ 10μM
MKNK1_HUMAN Q9BUB5 MAP Kinase-interacting Serine/threonine-protein Kinase MNK1, Human 1100 0.36 Binding ≤ 10μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 120 0.42 Binding ≤ 10μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 8200 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of PPARGC1A (PGC-1alpha) by phosphorylation
AMPK inhibits chREBP transcriptional activation activity
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHA-mediated growth cone collapse
Import of palmitoyl-CoA into the mitochondrial matrix
Regulation of AMPK activity via LKB1
Regulation of Rheb GTPase activity by AMPK
Signaling by ERBB2
Spry regulation of FGF signaling
Translocation of GLUT4 to the plasma membrane

Rings

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

No pre-computed analogs available. Try a structural similarity search.