| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 18 | Yes |
Popular Name: 4-(1,3-Benzothiazol-2-yl)-n,n-dimethylaniline 4-(1,3-Benzothiazol-2-yl)-n,n-di…
Find On: PubMed — Wikipedia — Google
CAS Number: 10205-56-8
| 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) | 4.39 | 8.19 | -8.59 | 0 | 2 | 0 | 16 | 254.358 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 171 - 173 | Enamine Building Blocks |
| MP | 171...173 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | WO1995006469A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A4-2-E | Beta Amyloid A4 Protein (cluster #2 Of 5), Eukaryotic | Eukaryotes | 4 | 0.65 | Binding ≤ 10μM |
| LUCI-1-E | Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 320 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A4_HUMAN | P05067 | Beta Amyloid A4 Protein, Human | 4 | 0.65 | Binding ≤ 1μM |
| LUCI_PHOPE | Q27757 | Luciferin 4-monooxygenase, Phope | 320 | 0.51 | Binding ≤ 1μM |
| LUCI_PHOPY | P08659 | Luciferin 4-monooxygenase, Phopy | 200 | 0.52 | Binding ≤ 1μM |
| A4_HUMAN | P05067 | Beta Amyloid A4 Protein, Human | 4 | 0.65 | Binding ≤ 10μM |
| LUCI_PHOPE | Q27757 | Luciferin 4-monooxygenase, Phope | 320 | 0.51 | Binding ≤ 10μM |
| LUCI_PHOPY | P08659 | Luciferin 4-monooxygenase, Phopy | 200 | 0.52 | Binding ≤ 10μM |
| 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 |
