UCSF

ZINC26179223

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) 7.46 10.74 -21.78 6 10 0 160 672.867 19

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BACE1-1-E Beta-secretase 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 300 0.19 Binding ≤ 10μM
BACE2-1-E Beta Secretase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.19 Binding ≤ 10μM
PEN2-1-E Gamma-secretase Subunit PEN-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BACE2_HUMAN Q9Y5Z0 Beta Secretase 2, Human 300 0.19 Binding ≤ 1μM
BACE1_HUMAN P56817 Beta-secretase 1, Human 300 0.19 Binding ≤ 1μM
PEN2_HUMAN Q9NZ42 Gamma-secretase Subunit PEN-2, Human 300 0.19 Binding ≤ 1μM
BACE2_HUMAN Q9Y5Z0 Beta Secretase 2, Human 300 0.19 Binding ≤ 10μM
BACE1_HUMAN P56817 Beta-secretase 1, Human 300 0.19 Binding ≤ 10μM
PEN2_HUMAN Q9NZ42 Gamma-secretase Subunit PEN-2, Human 300 0.19 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activated NOTCH1 Transmits Signal to the Nucleus
Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants
Constitutive Signaling by NOTCH1 PEST Domain Mutants
EPH-ephrin mediated repulsion of cells
NOTCH2 Activation and Transmission of Signal to the Nucleus
NRIF signals cell death from the nucleus
Nuclear signaling by ERBB4
Regulated proteolysis of p75NTR
Signaling by NOTCH3
Signaling by NOTCH4

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