UCSF

ZINC13522719

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 Yes

Other Names:

MFCD22570301

NA

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) 4.43 7.47 -8.4 0 3 0 25 284.384 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A4-2-E Beta Amyloid A4 Protein (cluster #2 Of 5), Eukaryotic Eukaryotes 2 0.61 Binding ≤ 10μM
LUCI-1-E Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 2700 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
A4_HUMAN P05067 Beta Amyloid A4 Protein, Human 1.9 0.61 Binding ≤ 1μM
LUCI_PHOPY P08659 Luciferin 4-monooxygenase, Phopy 700 0.43 Binding ≤ 1μM
A4_HUMAN P05067 Beta Amyloid A4 Protein, Human 1.9 0.61 Binding ≤ 10μM
LUCI_PHOPE Q27757 Luciferin 4-monooxygenase, Phope 2700 0.39 Binding ≤ 10μM
LUCI_PHOPY P08659 Luciferin 4-monooxygenase, Phopy 700 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Advanced glycosylation endproduct receptor signaling
Amyloids
DEx/H-box helicases activate type I IFN and inflammatory cytokines production
ECM proteoglycans
Formyl peptide receptors bind formyl peptides and many other ligands
G alpha (i) signalling events
G alpha (q) signalling events
Platelet degranulation
RIP-mediated NFkB activation via ZBP1
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
The NLRP3 inflammasome
TRAF6 mediated NF-kB activation

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

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