UCSF

ZINC28824948

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 35 Yes

Popular Name: N/A N/A

Find On: PubMed — Wikipedia — Google

CAS Number: 209984-57-6

Other Names:

LS-193033

LY411575

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) 2.49 7.76 -20.86 3 7 0 99 479.483 5 ↓

Vendor Notes

Note Type Comments Provided By
Target Gamma-secretase Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PSN1-1-E Presenilin 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PSN1_HUMAN P49768 Presenilin 1, Human 0.114 0.40 Binding ≤ 1μM
PSN1_HUMAN P49768 Presenilin 1, Human 0.114 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Degradation of the extracellular matrix

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