UCSF

ZINC03954176

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) -0.81 -0.91 -96.08 1 10 -2 172 457.445 4
Lo Low (pH 4.5-6) -0.81 -0.56 -98.42 2 10 -1 173 458.453 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTN11-3-E Protein-tyrosine Phosphatase 2C (cluster #3 Of 3), Eukaryotic Eukaryotes 318 0.29 Binding ≤ 10μM
PTN11-3-E Protein-tyrosine Phosphatase 2C (cluster #3 Of 3), Eukaryotic Eukaryotes 320 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTN11_HUMAN Q06124 Protein-tyrosine Phosphatase 2C, Human 318 0.29 Binding ≤ 1μM
PTN11_HUMAN Q06124 Protein-tyrosine Phosphatase 2C, Human 318 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon
Constitutive PI3K/AKT Signaling in Cancer
Costimulation by the CD28 family
CTLA4 inhibitory signaling
Downstream signal transduction
FRS2-mediated cascade
GAB1 signalosome
Interferon alpha/beta signaling
Interleukin-3, 5 and GM-CSF signaling
Interleukin-6 signaling
Negative regulation of FGFR signaling
Netrin mediated repulsion signals
PD-1 signaling
PECAM1 interactions
PI-3K cascade
PI3K Cascade
PIP3 activates AKT signaling
Platelet sensitization by LDL
Prolactin receptor signaling
Regulation of IFNA signaling
Regulation of IFNG signaling
Signal regulatory protein (SIRP) family interactions
Signaling by Leptin
Signaling by SCF-KIT
Spry regulation of FGF signaling
Tie2 Signaling

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